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  • 151.
    Li, Shanghua
    et al.
    KTH, School of Information and Communication Technology (ICT), Microelectronics and Applied Physics, MAP.
    Soliman, Hesham M. A.
    KTH, School of Information and Communication Technology (ICT), Microelectronics and Applied Physics, MAP.
    Zhou, Jian
    KTH, School of Information and Communication Technology (ICT), Microelectronics and Applied Physics, MAP.
    Toprak, Muhammet
    KTH, School of Information and Communication Technology (ICT), Microelectronics and Applied Physics, MAP.
    Muhammed, Mamoun
    KTH, School of Information and Communication Technology (ICT), Microelectronics and Applied Physics, MAP.
    Platzek, Dieter
    Ziolkowski, Pawel
    Müller, Eckhard
    Effects of annealing and doping on nanostructured bismuth telluride thick films2008In: Chemistry of Materials, ISSN 0897-4756, E-ISSN 1520-5002, Vol. 20, no 13, p. 4403-4410Article in journal (Refereed)
    Abstract [en]

    Bismuth telluride is the state-of-the-art thermoelectric (TE) material for cooling applications with a figure of merit of ∼1 at 300 K. There is a need for the development of TE materials based on the concept of thick films for miniaturized devices due to mechanical and manufacturing constraints for the thermoelement dimensions. We reported earlier a method for the fabrication of high-quality nanostructured bismuth telluride thick films with thickness from 100 to 350 μm based on electrochemical deposition techniques. In this paper, annealing is performed to further improve the TE performance of the nanostructured bismuth telluride thick films and n/p-type solid solutions are successfully fabricated by doping Se and Sb, respectively. The conditions for both annealing and doping for the thick films are investigated, and the effects of annealing and doping on morphology, crystalline phase, grain size, Seebeck coefficient, homogeneity, electrical conductivity, and power factor of the bismuth telluride thick films have been studied.

  • 152.
    Li, Shanghua
    et al.
    KTH, School of Industrial Engineering and Management (ITM), Materials Science and Engineering.
    Toprak, Muhammet
    KTH, School of Industrial Engineering and Management (ITM), Materials Science and Engineering.
    Jo, Yun-Suk
    Kim, Do-Kyung
    Muhammed, Mamoun
    KTH, School of Industrial Engineering and Management (ITM), Materials Science and Engineering.
    Fabrication of transparent polymer-inorganic hybrid material2005In: Materials Research Society Symposium Proceedings, 2005, Vol. R, no 45, p. 190-194Conference paper (Refereed)
    Abstract [en]

    Polymer-inorganic hybrid materials composed of polymethyl methacrylate (PMMA) and zinc compounds were prepared by sol-gel in-situ transition polymerization of zinc complex in PMMA matrix. Zinc acetate dihydrate dissolved in ethanol was used as the inorganic precursor. Monoethanolamine (MEA) acted as a complexing agent to control the hydrolysis of zinc acetate to produce a zinc compound network, and then PMMA, formed in-situ through a radical polymerization, were chemically bonded to the forming zinc compound network to realize a hybrid material. Transparent homogenous hybrid materials with slight colours from pink to yellow were fabricated by varying the composition. TEM, FT-IR were employed to investigate structural and physical properties. The UV-shielding effect was evaluated by UV-VIS. The low content of zinc (around 0.02 wt%) and the fine particle size rendered it visibly transparent and capable of greatly attenuating UV radiation in the full UV range.

  • 153.
    Li, Shanghua
    et al.
    KTH, School of Information and Communication Technology (ICT), Material Physics, Functional Materials, FNM.
    Zhang, Shuo
    KTH, School of Information and Communication Technology (ICT), Material Physics, Functional Materials, FNM.
    He, Zeming
    Toprak, Muhammet
    KTH, School of Information and Communication Technology (ICT), Material Physics, Functional Materials, FNM.
    Stiewe, Christian
    Muhammed, Mamoun
    KTH, School of Information and Communication Technology (ICT), Material Physics, Functional Materials, FNM.
    Mueller, Eckhard
    Novel Solution Route Synthesis of Low Thermal Conductivity Nanocrystalline Bismuth Telluride2010In: Journal of Nanoscience and Nanotechnology, ISSN 1533-4880, E-ISSN 1533-4899, Vol. 10, no 11, p. 7658-7662Article in journal (Refereed)
    Abstract [en]

    A novel synthesis approach based on a solution route has been developed for the fabrication of nanocrystalline bismuth telluride. The method consists of dissolving both bismuth and tellurium into the same organic solvent with the assistance of complexing agents and one-step coprecipitation of bismuth telluride. The synthesized nanocrystalline bismuth telluride powders possess rhombohedral crystal structure and are nanosheet/nanorod-like with an average size of between 30 and 40 nm. The thermal conductivity of the hot-pressed compact consolidated from the as-synthesized nanopowders is 0.39-0.45 Wm(-1)K(-1) in the temperature range of 323 to 523 K, which is at most one third of that of bulk bismuth telluride-based materials reported in the literature. Such low thermal conductivity of the investigated bismuth telluride is mainly attributed to substantially high concentration of grain boundaries provided by nanostructuring to scatter phonons intensively.

  • 154. Lin, Meng Meng
    et al.
    Li, Shanghua
    KTH, School of Information and Communication Technology (ICT), Material Physics, Functional Materials, FNM.
    Kim, Hyung-Hwan
    Kim, Hyuck
    Lee, Hyung Bock
    Muhammed, Mamoun
    KTH, School of Information and Communication Technology (ICT), Material Physics, Functional Materials, FNM.
    Kim, Do-Kyung
    KTH, School of Information and Communication Technology (ICT), Material Physics, Functional Materials, FNM.
    Complete separation of magnetic nanoparticles via chemical cleavage of dextran by ethylenediamine for intracellular uptake2010In: Journal of Materials Chemistry, ISSN 0959-9428, E-ISSN 1364-5501, Vol. 20, no 3, p. 444-447Article in journal (Refereed)
    Abstract [en]

    Completely water dispersible and highly monodispersed superparamagnetic iron oxide nanoparticles (SPIONs) were prepared. The surface of SPIONs was modified with dual-crosslinked amine activated dextran (AMD) and chemical cleavage of AMD on SPIONs was carried out by ethylenediamine hydrochloride (EDA). Transmission electron microscopy (TEM) revealed that individual SPIONs were completely separated in water and the average diameter of resulting nanoparticles was 4.4 nm.

  • 155.
    Lindvall, Mikael
    et al.
    Swerea MEFOS.
    Tikka, Janne
    Pöyry.
    Berg, Martin
    KTH, School of Industrial Engineering and Management (ITM), Materials Science and Engineering.
    Ye, Guozhu
    Swerea MEFOS.
    Sichen, Du
    KTH, School of Industrial Engineering and Management (ITM), Materials Science and Engineering.
    Vanadium extraction from a Fe-V(2.0mass%)-P(0.1mass%) melt and investigation of the phase relations in the formed FeO-SiO2 based slag with 20mass% V2017In: Journal of sustainable metallargy, ISSN 2199-3823Article in journal (Refereed)
    Abstract [en]

    An innovative and sustainable way for production of vanadium is to co-process vanadium titanomagnetite ores with vanadium bearing slag from steel industry, via reduction, producing a hot metal containing about 2mass% vanadium, 0.1mass% phosphorus and 0.4mass% silicon. A V extraction method was developed for these hot metals using a semi-industrial scale converter. Oxidation was carried out with an air jet enriched to 50vol% oxygen and by top-charging up to 70kg iron ore pellets per ton hot metal. The complete dissolution of pellets was achieved by deliberately creating good stirring conditions utilizing high momentary decarburization rates. The temperature could be controlled to around 1677K at the blowing endpoint after the pellet coolant had been dissolved. Produced vanadium slags contained as high as 20mass% V. The semi-finished product contained about 3mass% carbon and 0.1mass% vanadium, corresponding to a vanadium yield of 94%. The phosphorus distribution to the slag was low when good stirring was obtained. The slag composition had a more profound impact than the temperature on the vanadium distribution. Laboratory scale study also showed that the temperature impact on the fraction of the solid spinel phase and on the composition of the liquid phase are low and could explain this statement.

  • 156.
    Linnarsson, Margareta K.
    et al.
    KTH, School of Information and Communication Technology (ICT), Microelectronics and Applied Physics, MAP.
    Janson, Martin S.
    KTH, School of Information and Communication Technology (ICT), Microelectronics and Information Technology, IMIT.
    Nordell, Nils
    KTH, School of Information and Communication Technology (ICT), Centres, Electrum Laboratory, ELAB.
    Wong-Leung, J.
    Schoner, A.
    Formation of precipitates in heavily boron doped 4H-SiC2006In: Applied Surface Science, ISSN 0169-4332, E-ISSN 1873-5584, Vol. 252, no 15, p. 5316-5320Article in journal (Refereed)
    Abstract [en]

    Secondary ion mass spectrometry (SIMS) and transmission electron microscopy (TEM) are utilized to study precipitation and the solubility of B in 4H-SiC epitaxial layers super saturated with B. Heat treatments are performed in Ar atmosphere in an rf-heated furnace at temperatures between 1700 and 2000 degrees C. SIMS ion images, and TEM micrographs reveal the formation of two types of precipitates where the larger, more thermally stable one is suggested to be B4C. The boron solubility is determined from SIMS depth profiles and is shown to follow the Arrhenius expression: 7.1 x 10(22) exp(-1.4 eV/k(B)T) cm(-3) over the studied temperature range.

  • 157. Litvin, Valentina A.
    et al.
    Minaev, Boris F.
    KTH, School of Biotechnology (BIO), Theoretical Chemistry and Biology.
    The size-controllable, one-step synthesis and characterization of gold nanoparticles protected by synthetic humic substances2014In: Materials Chemistry and Physics, ISSN 0254-0584, E-ISSN 1879-3312, Vol. 144, no 1-2, p. 168-178Article in journal (Refereed)
    Abstract [en]

    In this paper we demonstrate the use of synthetic humic substances (HSs) in the synthesis of gold nanoparticles in which the unprecedented control of particle size and shape is achieved by varying the experimental conditions. In this reaction, the synthetic HSs are used as a reductive and protective reagent. A number synthetic HSs from different fenol precursors are tested. The nanoparticles formation processes were monitored by UV-visible spectroscopy, and the results were analyzed by transmission electron microscopy and X-ray diffraction. The preference of synthetic HSs over natural HSs is determined by a standardization problem resolution due to the strict control of the HSs formation conditions that expand the areas of application of the gold nanoparticles fabricated with such technique. These nanodispersions are aggregately stable for more than one year. The possible formation mechanism of primary gold nanoclusters is proposed.

  • 158.
    Liu, Andong
    et al.
    KTH, School of Chemical Science and Engineering (CHE), Fibre and Polymer Technology, Biocomposites.
    Medina, Lilian
    KTH, School of Chemical Science and Engineering (CHE), Fibre and Polymer Technology, Biocomposites.
    Berglund, Lars A.
    KTH, School of Chemical Science and Engineering (CHE), Fibre and Polymer Technology, Biocomposites.
    High-Strength Nanocomposite Aerogels of Ternary Composition: Poly(vinyl alcohol), Clay, and Cellulose Nanofibrils2017In: ACS Applied Materials & Interfaces, ISSN 1944-8244, Vol. 9, no 7, p. 6453-6461Article in journal (Refereed)
    Abstract [en]

    Clay aerogels are foam-like materials with potential to combine high mechanical performance with fire retardancy. However, the compression strength of these aerogels is much lower than theoretically predicted values. High-strength aerogels with more than 95% porosity were prepared from a ternary material system based on PVA, MTM clay platelets and cellulose nanofibrils (CNF). A hydrocolloidal suspension of the three components, was subjected to freezedrying so that a low-density aerogel foam was formed. Cell structure was studied by FE-SEM microscopy. Interactions at the molecular scale were observed by XRD and FT-IR. Crosslinking was carried out using glutaraldehyde or borax, and moisture stability was investigated. These biobased ternary aerogels showed much better compression strength than previously studied materials, and show higher strength than high-performance sandwich foam cores such as crosslinked PVC foams.

  • 159.
    Liu, Peng
    et al.
    KTH, School of Chemical Science and Engineering (CHE), Chemistry, Applied Physical Chemistry. kTH.
    Gardner, James
    KTH, School of Chemical Science and Engineering (CHE), Chemistry, Applied Physical Chemistry.
    Kloo, Lars
    KTH, School of Chemical Science and Engineering (CHE), Chemistry, Applied Physical Chemistry.
    Cross-linked sulfur-selenium polymers as hole transporting materials in dye-sensitized solar cells and perovskite solar cells,2017In: ChemphotoChemArticle in journal (Refereed)
    Abstract [en]

    Novel inverse-vulcanized polymeric sulfur–selenium materials (SeS2:S:DIB, where DIB=1,3-diisopropenylbenzene) have been prepared and utilized for solid-state dye-sensitized solar cellsand perovskite solar cells. Under standard AM 1.5G illumination (1000 Wm-2), a power conversion efficiency of 1.70% was recorded for polymeric sulfur–selenium–based (SeS2:S:DIB) solidstate solar cells, which is higher than that of polymeric sulfurbased (S:DIB) devices (1.09 %). For perovskite solar cells, a relatively high efficiency has been achieved for polymeric sulfur–selenium-based (SeS2:S:DIB) solar cells (10.21%) and polymeric sulfur-based (S:DIB; 7.32%) solar cells, respectively. The conductivity of the polymeric SeS material has been determined to 2.2410-4 Scm-1, which is higher than for the polymeric sulfur material under the same doping conditions. Photoinduced absorption and steady-state photoluminescence measurements were performed to investigate the charge-transfer properties relevant for the solar cells. The results in the present study qualify the new polymeric sulfur–selenium materials as candidates for low-cost hole-transport materials for photovoltaic devices.

  • 160.
    Liu, Peng
    et al.
    KTH, School of Chemical Science and Engineering (CHE), Chemistry, Applied Physical Chemistry. kTH.
    Sharmoukh, Walid
    KTH, School of Chemical Science and Engineering (CHE), Chemistry, Organic Chemistry.
    Xu, Bo
    KTH, School of Chemical Science and Engineering (CHE), Chemistry, Organic Chemistry.
    Li, Yuanyuan
    KTH, School of Chemical Science and Engineering (CHE), Fibre and Polymer Technology.
    Boschloo, Gerrit
    Uppsala University.
    Sun, Licheng
    KTH, School of Chemical Science and Engineering (CHE), Chemistry. Dalian University of Technology (DUT), Dalian, China.
    Kloo, Lars
    KTH, School of Chemical Science and Engineering (CHE), Chemistry, Applied Physical Chemistry.
    Novel and Stable D-A-π-A Dyes for Efficient Solid-state Dye-sensitized Solar Cells2017In: ACS Omega, Vol. 2, no 5, p. 1812-1819Article in journal (Refereed)
    Abstract [en]

    Two novel organic donor–acceptor−π–acceptor sensitizers, W7 and W8, have been applied in efficient solid-state dye-sensitized solar cells (ssDSSCs). Using 2,2′,7,7′-tetrakis(N,N-di-p-methoxyphenyl-amine) 9,9′-spirobifluorene (Spiro-OMeTAD) as hole-transport material (HTM), an excellent power conversion efficiency of 6.9% was recorded for W7, together with an excellent photocurrent of 10.51 mA cm–2 and a high open-circuit voltage of 880 mV under standard AM 1.5 G illumination (100 mW cm–2). The solid-state solar cells based on W8 showed an efficiency of 5.2%, with a good photocurrent of 9.55 mA cm–2 and an open-circuit voltage of 870 mV. Compared to that of the well-known WS2 sensitizer, the results show that the performance of the ssDSSC devices can be significantly improved by introducing triphenylamine moiety into their structure. In addition, results of photoinduced absorption spectroscopy show efficient dye regeneration for W7- and W8-based devices. A higher hole conductivity of the W7/HTM and W8/HTM layers compared to that of the WS2/HTM layer was observed, indicating an efficient charge transfer at the interfaces. The results obtained offer insights into the design of reliable and highly efficient ssDSSCs for large-scale applications.

  • 161.
    Liu, Peng
    et al.
    KTH, School of Chemical Science and Engineering (CHE), Chemistry, Applied Physical Chemistry. kTH.
    Wang, Linqin
    KTH, School of Chemical Science and Engineering (CHE), Chemistry, Organic Chemistry.
    Karlsson, Martin
    KTH, School of Chemical Science and Engineering (CHE), Chemistry, Applied Physical Chemistry.
    Hao, Yan
    Uppsala University.
    Gao, Jiajia
    KTH, School of Chemical Science and Engineering (CHE), Chemistry, Applied Physical Chemistry.
    Xu, Bo
    KTH, School of Chemical Science and Engineering (CHE), Chemistry, Organic Chemistry.
    Boschloo, Gerrit
    Uppsala University.
    Sun, Licheng
    KTH, School of Chemical Science and Engineering (CHE), Chemistry. Dalian University of Technology (DUT), Dalian, China.
    Kloo, Lars
    KTH, School of Chemical Science and Engineering (CHE), Chemistry, Applied Physical Chemistry.
    Molecular Engineering of D-π-A Type of Blue Dyes for Highly Efficient Solid State Dye Sensitized Solar Cells by Co-Sensitization2017In: Journal of Materials Chemistry, ISSN 0959-9428, E-ISSN 1364-5501Article in journal (Refereed)
  • 162.
    Lo Re, Giada
    et al.
    KTH, School of Engineering Sciences in Chemistry, Biotechnology and Health (CBH), Fibre- and Polymer Technology, Biocomposites.
    Engström, Joakim
    KTH, School of Engineering Sciences in Chemistry, Biotechnology and Health (CBH), Fibre- and Polymer Technology, Coating Technology. KTH, School of Engineering Sciences in Chemistry, Biotechnology and Health (CBH), Centres, Wallenberg Wood Science Center.
    Wu, Qiong
    KTH, School of Engineering Sciences in Chemistry, Biotechnology and Health (CBH), Fibre- and Polymer Technology, Biocomposites.
    Malmström, Eva
    KTH, School of Engineering Sciences in Chemistry, Biotechnology and Health (CBH), Centres, Wallenberg Wood Science Center.
    Gedde, Ulf W.
    KTH, School of Engineering Sciences in Chemistry, Biotechnology and Health (CBH), Fibre- and Polymer Technology, Polymeric Materials.
    Olsson, Richard
    KTH, School of Engineering Sciences in Chemistry, Biotechnology and Health (CBH), Fibre- and Polymer Technology, Polymeric Materials.
    Berglund, Lars
    KTH, School of Engineering Sciences in Chemistry, Biotechnology and Health (CBH), Fibre- and Polymer Technology, Biocomposites. KTH, School of Engineering Sciences in Chemistry, Biotechnology and Health (CBH), Fibre- and Polymer Technology, Coating Technology.
    Improved Cellulose Nanofibril Dispersion in Melt-Processed Polycaprolactone Nanocomposites by a Latex-Mediated Interphase and Wet Feeding as LDPE Alternative2018In: ACS Applied Nano Materials, ISSN 2574-0970, Vol. 1, no 6, p. 2669-2677Article in journal (Refereed)
    Abstract [en]

    This work reports the development of a sustainable and green one-step wet-feeding method to prepare tougher and stronger nanocomposites from biodegradable cellulose nanofibrils (CNF)/polycaprolactone (PCL) constituents, compatibilized with reversible addition fragmentation chain transfer-mediated surfactant-free poly(methyl methacrylate) (PMMA) latex nanoparticles. When a PMMA latex is used, a favorable electrostatic interaction between CNF and the latex is obtained, which facilitates mixing of the constituents and hinders CNF agglomeration. The improved dispersion is manifested in significant improvement of mechanical properties compared with the reference material. The tensile tests show much higher modulus (620 MPa) and strength (23 MPa) at 10 wt % CNF content (compared to the neat PCL reference modulus of 240 and 16 MPa strength), while maintaining high level of work to fracture the matrix (7 times higher than the reference nanocomposite without the latex compatibilizer). Rheological analysis showed a strongly increased viscosity as the PMMA latex was added, that is, from a well-dispersed and strongly interacting CNF network in the PCL.

  • 163.
    Lousada, Cláudio M.
    et al.
    KTH, School of Industrial Engineering and Management (ITM), Materials Science and Engineering, Materials Technology.
    Fernandes, Ricardo M. F.
    KTH, School of Chemical Science and Engineering (CHE), Chemistry, Applied Physical Chemistry.
    Tarakina, Nadezda V.
    Soroka, Inna L.
    KTH, School of Chemical Science and Engineering (CHE), Chemistry, Applied Physical Chemistry.
    Synthesis of copper hydride (CuH) from CuCO3·Cu(OH)2 – a path to electrically conductive thin films of Cu2017In: Dalton Transactions, ISSN 1477-9226, E-ISSN 1477-9234, Vol. 46, no 20, p. 6533-6543Article in journal (Refereed)
    Abstract [en]

    The most common synthesis methods for copper hydride (CuH) employ hard ligands that lead to the formation of considerable amounts of metallic Cu as side-product. Here we explore a synthesis method for CuH(s) through the reaction of CuCO3 center dot Cu(OH)(2)(s) with hypophosphorous acid (H3PO2) in solution, via the formation of the intermediate Cu(H2PO2)(2)(aq) complex. The reaction products were characterized with XRD, FTIR and SEM at different reaction times, and the kinetics of the transformation of Cu(H2PO2)(2)(aq) to CuH(s) were followed with NMR and are discussed. We show that our synthesis method provides a simple way for obtaining large amounts of CuH(s) even when the synthesis is performed in air. Compared to the classic Wurtz method, where CuSO4 is used as an initial source of Cu2+, our synthesis produces CuH particles with less metallic Cu side-product. We attribute this to the fact that our reaction medium is free from the hard SO42- ligand that can disproportionate Cu(I). We discuss a mechanism for the reaction based on the known reactivity of the reagents and intermediates involved. We explored the possibility of using CuH(s) for making electrically conductive films. Tests that employed water-dispersed CuH particles show that this compound can be reduced with H3PO2 leading to electrically conductive thin films of Cu. These films were made on regular office paper and were found to be Ohmic conductors even after several weeks of exposure to ambient conditions. The fact that the synthesis reported here produces large amounts of CuH particles in aqueous media, with very little impurities, and the fact that these can then be converted to a stable electrically conductive film can open up new applications for CuH such as for printing electrically conductive films or manufacturing surface coatings.

  • 164.
    Lousada, Cláudio M.
    et al.
    KTH, School of Industrial Engineering and Management (ITM), Materials Science and Engineering, Materials Technology.
    Johansson, Adam Johannes
    Korzhavyi, Pavel A.
    KTH, School of Industrial Engineering and Management (ITM), Materials Science and Engineering, Materials Technology.
    Molecular and dissociative adsorption of water and hydrogen sulfide at perfect and defective Cu(110) surfaces2017In: Physical Chemistry, Chemical Physics - PCCP, ISSN 1463-9076, E-ISSN 1463-9084, Vol. 19, p. 8111-8120Article in journal (Refereed)
    Abstract [en]

    We performed a density functional theory (DFT) investigation of the molecular and dissociative adsorption of H2O and H2S at perfect and defective Cu(110) surfaces described using supercells with c(6 × 6) periodicity. The defective surface consists of a terrace surrounded by pits. We found considerable differences in adsorption modes and energies for H2O and H2S. At the defective Cu(110) surface, monomers of H2O and H2S preferentially adsorb at the terrace site and molecular adsorption of H2O is significantly more favorable than that of H2S. For dissociative adsorption however, the sulfur species are considerably more stable than the oxygen species. For monolayer (ML) coverages, there are small differences in the molecular adsorption energies for H2O and H2S. However, for the formation of 1 ML of HO and 1 ML of HS from 1 ML of H2O and 1 ML of H2S, respectively, with the release of H2(g), the differences are very large. The formation of 1 ML HO at the perfect Cu(110) surface is endoergic, while at the defective Cu(110) surface it is exoergic by −0.6 eV. For high coverages, H2S forms stacked half-monolayers that interact with each other via a complex hydrogen bond network with a strength per H2S molecule of −0.140 eV per H2S and −0.120 eV per H2S for H2S located in the underlayer and overlayer, respectively. The large distances between hydrogen bonded H2S molecules explain the preference for the formation of the two stacked half-monolayers of H2S instead of a single monolayer as it happens with H2O. Additionally, the formation of 1 ML of HS does not occur because of the spontaneous splitting of some H–S bonds resulting in surface bound HS and S and H2S molecules. Extensive surface reconstruction and relaxation accompanies adsorption of the sulfur adsorbates. Such reconstructions with outwards pull of Cu atoms can be at the origin of the weak adhesion of sulfide films that explains the release of CuS particles from copper sulfide films at copper surfaces. Overall, the surface defects here investigated induce non-linear effects in the molecular and dissociative adsorption energies of different O and S adsorbates.

  • 165.
    Lousada, Cláudio M.
    et al.
    KTH, School of Industrial Engineering and Management (ITM), Materials Science and Engineering, Materials Technology.
    Johansson, Adam Johannes
    Korzhavyi, Pavel A.
    Molecular and dissociative adsorption of water at a defective Cu(110) surface2017In: Surface Science, ISSN 0039-6028, E-ISSN 1879-2758, Vol. 658, p. 1-8Article in journal (Refereed)
    Abstract [en]

    We performed a density functional theory (DFT) investigation of the molecular and dissociative adsorption of water at the perfect Cu(110) and at a defective Cu surface that provides a broad spectrum of adsorption sites in terms of coordination of Cu atoms, with the aim of understanding the role of surface defects in the dissociation of water molecules. The molecular adsorption of water is spontaneous at both surfaces but at the defective surface we found two stable molecular adsorption structures that differ slightly in the disposition of the O-atoms of H2O on the surface plane but differ considerably on the orientation of their H-atoms. Additionally we studied the dissociative adsorption of water accompanied with formation of H2(g). At the defective surface, starting from 1 ML of molecularly adsorbed H2O, the dissociation of 0.22 ML of H2O leading to 0.22 ML of HO, 0.78 ML H2O and H2(g) is exergonic but the dissociation of 0.44 ML or more H2O molecules is endergonic. These findings are discussed in terms of the two main factors that affect the adsorption energies: the existence of exposed adatoms provides an environment that facilitates the interaction with small adsorbates leading to stronger bonds between the surface and such adsorbates; and at the same time, the limited polarizability of the defect sites causes high coverages of adsorbates that drag electron density from the surface to be unfavorable. The overall effect is that at the defective Cu(110) formation of low coverages of HO groups is more favorable than at the perfect Cu(110) while forming coverages higher than 0.44 ML of HO is less favorable than at the perfect Cu(110). These effects have their origin in the extent of the polarization of the Cu–O bonds.

  • 166.
    Lousada Patrício, Cláudio Miguel
    KTH, School of Chemical Science and Engineering (CHE), Chemistry, Applied Physical Chemistry.
    Reactions of aqueous radiolysis products with oxide surfaces: An experimental and DFT study2013Doctoral thesis, comprehensive summary (Other academic)
    Abstract [en]

    The reactions between aqueous radiolysis products and oxide surfaces are important in nuclear technology in many ways. In solid-liquid systems, they affect (and at the same time are dependent on) both the solution chemistry and the stability of materials under the influence of ionizing radiation. The stability of surface oxides is a factor that determines the longevity of the materials where such oxides are formed. Additionally, the aqueous radiolysis products are responsible for corrosion and erosion of the materials.

      In this study, the reactions between radiolysis products of water – mainly H2O2 and HO radicals – with metal, lanthanide and actinide oxides are investigated. For this, experimental and computational chemistry methods are employed. For the experimental study of these systems it was necessary to implement new methodologies especially for the study of the reactive species – the HO radicals. Similarly, the computational study also required the development of models and benchmarking of methods. The experiments combined with the computational chemistry studies produced valuable kinetic, energetic and mechanistic data.

      It is demonstrated here that the HO radicals are a primary product of the decomposition of H2O2. For all the materials, the catalytic decomposition of H2O2 consists first of molecular adsorption onto the surfaces of the oxides. This step is followed by the cleavage of the O-O bond in H2O2 to form HO radicals. The HO radicals are able to react further with the hydroxylated surfaces of the oxides to form water and a surface bound HO center. The dynamics of formation of HO vary widely for the different materials studied. These differences are also observed in the activation energies and kinetics for decomposition of H2O2. It is found further that the removal of HO from the system where H2O2 undergoes decomposition, by means of a scavenger, leads to the spontaneous formation of H2.

      The combined theoretical-experimental methodology led to mechanistic understanding of the reactivity of the oxide materials towards H2O2 and HO radicals. This reactivity can be expressed in terms of fundamental properties of the cations present in the oxides. Correlations were found between several properties of the metal cations present in the oxides and adsorption energies of H2O, adsorption energies of HO radicals and energy barriers for H2O2 decomposition. This knowledge can aid in improving materials and processes important for nuclear technological systems, catalysis, and energy storage, and also help to better understand geochemical processes.

  • 167.
    Lu, Huiran
    et al.
    KTH, School of Chemical Science and Engineering (CHE), Chemical Engineering and Technology, Applied Electrochemistry.
    Behm, Mårten
    KTH, School of Chemical Science and Engineering (CHE), Chemical Engineering and Technology, Applied Electrochemistry.
    Leijonmarck, Simon
    KTH, School of Chemical Science and Engineering (CHE), Chemical Engineering and Technology, Applied Electrochemistry. Swerea KIMAB AB.
    Lindbergh, Göran
    KTH, School of Chemical Science and Engineering (CHE), Chemical Engineering and Technology, Applied Electrochemistry.
    Cornell, Ann M.
    KTH, School of Chemical Science and Engineering (CHE), Chemical Engineering and Technology, Applied Electrochemistry. KTH, School of Chemical Science and Engineering (CHE), Centres, Wallenberg Wood Science Center.
    Flexible Paper Electrodes for Li-Ion Batteries Using Low Amount of TEMPO-Oxidized Cellulose Nanofibrils as Binder2016In: ACS Applied Materials and Interfaces, ISSN 1944-8244, E-ISSN 1944-8252, Vol. 8, no 28, p. 18097-18106Article in journal (Refereed)
    Abstract [en]

    Flexible Li-ion batteries attract increasing interest for applications in bendable and wearable electronic devices. TEMPO-oxidized cellulose nanofibrils (TOCNF), a renewable material, is a promising candidate as binder for flexible Li-ion batteries with good mechanical properties. Paper batteries can be produced using a water-based paper making process, avoiding the use of toxic solvents. In this work, finely dispersed TOCNF was used and showed good binding properties at concentrations as low as 4 wt %. The TOCNF was characterized using atomic force microscopy and found to be well dispersed with fibrils of average widths of about 2.7 nm and lengths of approximately 0.1-1 mu m. Traces of moisture, trapped in the hygroscopic cellulose, is a concern when the material is used in Li-ion batteries. The low amount of binder reduces possible moisture and also increases the capacity of the electrodes, based on total weight. Effects of moisture on electrochemical battery performance were studied on electrodes dried at 110 degrees C in a vacuum for varying periods. It was found that increased drying time slightly increased the specific capacities of the LiFePO4 electrodes, whereas the capacities of the graphite electrodes decreased. The Coulombic efficiencies of the electrodes were not much affected by the varying drying times. Drying the electrodes for 1 h was enough to achieve good electrochemical performance. Addition of vinylene carbonate to the electrolyte had a positive effect on cycling for both graphite and LiFePO4. A failure mechanism observed at high TOCNF concentrations is the formation of compact films in the electrodes.

  • 168.
    Lu, Huiran
    et al.
    KTH, School of Chemical Science and Engineering (CHE), Chemical Engineering and Technology, Applied Electrochemistry.
    Hagberg, Johan
    KTH, School of Chemical Science and Engineering (CHE), Chemical Engineering and Technology, Applied Electrochemistry.
    Lindbergh, Göran
    KTH, School of Chemical Science and Engineering (CHE), Chemical Engineering and Technology, Applied Electrochemistry.
    Cornell, Ann
    KTH, School of Chemical Science and Engineering (CHE), Chemical Engineering and Technology, Applied Electrochemistry. KTH, School of Chemical Science and Engineering (CHE), Centres, Wallenberg Wood Science Center.
    Li4Ti5O12 flexible, lightweight electrodes based on cellulose nanofibrils as binder and carbon fibers as current collectors for Li-ion batteries2017In: Nano Energy, ISSN 2211-2855, E-ISSN 2211-3282, Vol. 39, p. 140-150Article in journal (Refereed)
    Abstract [en]

    TEMPO oxidized cellulose nanofibrils (TOCNF) were used as binder material to prepare bendable Li4Ti5O12 (LTO) electrodes. Carbon fiber (CF) layers were integrated as current collectors to enhance the mechanical properties and to increase the specific energy of the electrodes. These electrodes combined with CF current collectors (LTO/CF) show good electrochemical properties and are flexible, sustainable, mechanical and chemical stable, lightweight and produced by a water-based easy filtration process. An increase of the active material weight (LTO) from around 19% to 71% of the electrode and current collector combined weight is demonstrated with CF compared with a copper current collector. Additionally, preparation of the current collector material is non-expensive, quick and easy compared to that of carbon nanotube or graphene. To test the flexible battery application, 4000 times repeated bending was carried out on both the LTO electrodes and the LTO/CF electrodes. This had no significant effect on the morphology, mechanical and electrochemical properties of neither the LTO nor the LTO/CF electrodes. Addition of the CF layer improves the mechanical properties and specific capacity of the LTO-electrode. A thicker LTO electrode with only 2 wt% TOCNF is demonstrated which is promising for thicker electrodes with high energy density. A full cell was assembled with the LTO/CF as negative electrode and LiFePO4 (LFP)/CF as positive, which exhibited a stable cycling performance and good energy density.

  • 169. Lu, Zhansheng
    et al.
    Yang, Zongxian
    Hermansson, Kersti
    KTH, School of Biotechnology (BIO), Theoretical Chemistry and Biology.
    Castleton, Christopher W. M.
    Several different charge transfer and Ce3+ localization scenarios for Rh-CeO2(111)2014In: Journal of Materials Chemistry A, ISSN 2050-7488, Vol. 2, no 7, p. 2333-2345Article in journal (Refereed)
    Abstract [en]

    We present DFT+U based electronic structure calculations in a p(3 x 3) slab supercell, for low coverages of atomically dispersed Rh interacting with the CeO2(111) surface, comparing Rh as an adatom, and as a dopant substituted into the surface layer. We find that, energetically, a Rh atom approaching a ceria(111) surface with both sparse O and Ce vacancies present strongly prefers to heal the Ce vacancies, but next it prefers to adsorb on a stoichiometric region rather than healing an O vacancy. In the adatom system, Rh is oxidized by electron transfer to a 4f orbital on one Ce ion in the surface layer, which is then nominally converted from Ce4+ -> Ce3+ (i.e. Rh adatoms are single donors). We show that there are a number of different local minima, with Ce3+ localization at 1st, 2nd or 3rd nearest neighbour Ce sites. The second neighbour is the most stable, but all are close in energy. In the Rh-doped system (Rh replaces Ce), Rh is oxidized by charge transfer to neighbouring O atoms, and Rh doping leads to deep acceptor and donor states. Rh is not stable in the O sublattice. Moreover, based on vacancy formation energies, we find that oxygen vacancy formation is strongly enhanced in the vicinity of Rh dopants, but slightly suppressed in the vicinity of Rh adatoms.

  • 170.
    Lundblad, Anders
    KTH, Superseded Departments, Chemical Engineering and Technology.
    Materials characterization of thin film electrodes for PEFC - Survey of methods and an example2004In: Journal of New Materials for Electrochemical Systems, ISSN 1480-2422, Vol. 7, no 1, p. 21-28Article in journal (Refereed)
    Abstract [en]

    Thorough materials characterization is an essential tool for obtaining a deeper understanding of the electrochemical processes taking place in thin film electrodes of polymer fuel cells. This paper gives a survey of different methods for characterizing materials properties that are relevant to the electrochemical performance of such electrodes (i.e. loading, thickness, electrical conductivity, porosity, pore size distribution and pore morphology). The use of these materials characterization methods is exemplified, among other things it is shown that the ionomer (Nafion(R)) in a thin-film electrode made by the spraying method is homogeneously distributed in pores smaller than 40 nm. Furthermore, the ionomer penetrates and/or encapsulates the primary carbon particles of 30 nm. The results are discussed in relation to different MEA fabrication methods.

  • 171.
    Luo, T.
    et al.
    Aix Marseille Univ, Fac St Jerome, CNRS, IM2NP, Case 142, F-13397 Marseille 20, France..
    Mangelinck, D.
    Aix Marseille Univ, Fac St Jerome, CNRS, IM2NP, Case 142, F-13397 Marseille 20, France..
    Descoins, M.
    Aix Marseille Univ, Fac St Jerome, CNRS, IM2NP, Case 142, F-13397 Marseille 20, France..
    Bertoglio, M.
    Aix Marseille Univ, Fac St Jerome, CNRS, IM2NP, Case 142, F-13397 Marseille 20, France..
    Mouaici, N.
    Ecole Natl Mines & Met ENSMM Annaba, Ex CEFOS Chaiba BP 233 RP Annaba,W129, Sidi Amar, Algeria..
    Hallén, Anders
    KTH, School of Information and Communication Technology (ICT).
    Girardeaux, C.
    Aix Marseille Univ, Fac St Jerome, CNRS, IM2NP, Case 142, F-13397 Marseille 20, France..
    Combined effect of Pt and Walloying elements on Ni-silicide formation2018In: Journal of Applied Physics, ISSN 0021-8979, E-ISSN 1089-7550, Vol. 123, no 12, article id 125301Article in journal (Refereed)
    Abstract [en]

    A combinatorial study of the combined effect of Pt and W on Ni silicide formation is performed. Ni(Pt, W) films with thickness and composition gradients were prepared by a co-deposition composition spread technique using sputtering deposition from Pt, W, and Ni targets. The deposited Ni(Pt, W) films were characterized by X-ray diffraction, X-ray reflectivity, Rutherford backscattering, and atom probe tomography. The maximum content of alloying elements is close to 27 at. %. Simulations of the thickness and composition were carried out and compared with experimental results. In situ X-ray diffraction and atom probe tomography were used to study the phase formation. Both additive alloying elements (Pt + W) slow down the Ni consumption and the effect of W is more pronounced than the one of Pt. Regarding the effect of alloying elements on Ni silicides formation, three regions could be distinguished in the Ni(Pt, W)/Si wafer. For the region close to the Ni target, the low contents of alloying elements (Pt + W) have little impact on the phase sequence (delta-Ni2Si is the first silicide and NiSi forms when Ni is entirely consumed) but the kinetics of silicide formation slows down. The region close to the Pt target has high contents of (Pt + W) and is rich in Pt and a simultaneous phase formation of delta-Ni(2)Sii and NiSi is observed. For the high (PtthornW) contents and W-rich region, NiSi forms unexpectedly before delta-Ni2Si and the subsequent growth of delta-Ni2Si is accompanied by the NiSi consumption. When Ni is entirely consumed, NiSi regrows at the expense of delta-Ni2Si.

  • 172.
    Lyne, Bruce
    KTH, School of Chemical Science and Engineering (CHE), Chemistry, Surface and Corrosion Science.
    Commercially available nanomaterials for inclusion in forest products2011In: TAPPI Int. Conf. Nanotechnology Renew. Mater., 2011, p. 944-956Conference paper (Refereed)
  • 173.
    Ma, Ying
    KTH, School of Information and Communication Technology (ICT), Material Physics, Functional Materials, FNM.
    Ceria-based Nanostructured Materials for Low-Temperature Solid Oxide Fuel Cells2012Doctoral thesis, comprehensive summary (Other academic)
    Abstract [en]

    As one of the most efficient and environmentally benign energy conversion devices, solid oxide fuel cells (SOFC) have attracted much attention in recent years. Conventional SOFC with yttria-stabilized zirconia as electrolyte require high operation temperature (800-1000 °C), which causes significant problems like material degradation, as well as other technological complications and economic barrier for wider applications. Therefore, there is a broad interest in reducing the operation temperature of SOFCs. One of the most promising ways to develop low-temperature SOFCs (LTSOFC) is to explore effective materials for each component with improved properties. So in this thesis, we are aiming to design and fabricate ceria-based nanocomposite materials for electrolyte and electrodes of LTSOFC by a novel nanocomposite approach.

    In the first part of the thesis, novel core-shell doped ceria/Na2CO3 nanocomposite was fabricated and investigated as electrolytes materials of LTSOFC. Two types of doped ceria were selected as the main phase for nanocomposite: samarium doped ceria (SDC) and calcium doped ceria (CDC). The core-shell SDC/Na2CO3 nanocomposite particles are smaller than 100 nm with amorphous Na2CO3 shell of 4~6 nm in thickness. The ionic conductivity of nanocomposite electrolytes were investigated by EIS and four-probe d.c. method, which demonstrated much enhanced ionic conductivities compared to the single phase oxides. The thermal stability of such nanocomposite has also been investigated based on XRD, BET, SEM and TGA characterization after annealing samples at various temperatures. Such nanocomposite was applied in LTSOFCs with an excellent power density of 0.8 Wcm-2 at 550 °C. The high performances together with notable thermal stability prove the doped ceria/Na2CO3 nanocomposite as a potential electrolyte material for long-term LTSOFCs.

    In the second part of the thesis, a novel template-, surfactant-free chemical synthetic route has been successfully developed for the controlled synthesis of hierarchically structured CeO2 with nanowires and mesoporous microspheres morphologies. The new synthetic route was designed by utilizing the chelate formation between cerium ion and various carboxylates forms of citric acid. Then, hierarchically structured cerium oxide with morphologies of nanowires and mesoporous microspheres can be obtained by thermal decomposition of the two kinds of precursors. Moreover, by doping with desired elements, SDC nanowires and SDC-CuO mesoporous microspheres were prepared and used for electrolyte and anode materials, respectively, based on their unique properties depending on their morphologies. When SDC nanowires/Na2CO3 composite were applied as electrolyte for single SOFC, and it exhibited maximum power density of 522 mWcm-2 at 600 °C, which is much better than the state-of-the-art SOFCs using doped ceria as electrolytes. Besides, the mesoporous CuO-SDC composite anode was synthesized by our microwave-assisted method, which shows good phase homogeneity of both SDC and CuO. When it was applied for fuel cells, the cell had better performance than conventional CuO-SDC anode prepared by solid state method.

    The whole work of this thesis aims to provide a new methodology for the entire SOFC community. It is notable that our work has attracted considerable attention after publication of several attached papers. The results in this thesis may benefit the development of LTSOFC and expand the related research to a new horizon.

  • 174. Malti, Abdellah
    et al.
    Edberg, Jesper
    Granberg, Hjalmar
    Khan, Zia Ullah
    Andreasen, Jens W.
    Liu, Xianjie
    Zhao, Dan
    Zhang, Hao
    Yao, Yulong
    Brill, Joseph W.
    Engquist, Isak
    Fahlman, Mats
    Wågberg, Lars
    KTH, School of Chemical Science and Engineering (CHE), Centres, Wallenberg Wood Science Center. KTH, School of Chemical Science and Engineering (CHE), Fibre and Polymer Technology.
    Crispin, Xavier
    Berggren, Magnus
    An Organic Mixed Ion-Electron Conductor for Power Electronics2016In: Advanced Science, ISSN 2198-3844, Vol. 3, no 2, article id UNSP 1500305Article in journal (Refereed)
    Abstract [en]

    A mixed ionic–electronic conductor based on nanofibrillated cellulose composited with poly(3,4-ethylene-dioxythio­phene):­poly(styrene-sulfonate) along with high boiling point solvents is demonstrated in bulky electrochemical devices. The high electronic and ionic conductivities of the resulting nanopaper are exploited in devices which exhibit record values for the charge storage capacitance (1F) in supercapacitors and transconductance (1S) in electrochemical transistors.

  • 175. Marino, T.
    et al.
    Boerrigter, M.
    Faccini, M.
    Chaumette, C.
    Arockiasamy, L.
    Bundschuh, Jochen
    KTH, School of Architecture and the Built Environment (ABE), Sustainable development, Environmental science and Engineering.
    Figoli, A.
    Photocatalytic activity and synthesis procedures of TiO2 nanoparticles for potential applications in membranes2017In: Application of Nanotechnology in Membranes for Water Treatment, CRC Press , 2017, p. 127-146Chapter in book (Other academic)
    Abstract [en]

    Heterogeneous photocatalysis based on oxide semiconductors is a promising technique for the prevention of microbial proliferation and to limit the growth of microorganisms. Among the studied photocatalysts, titanium dioxide (TiO2) represents one of the most interesting materials, due to its low cost, biocompatibility, chemical and thermal stability, and notable optical and dielectric properties. It exists in three polymorphic forms: rutile, which is the most stable form, anatase and brookite, both of which are metastable and convert into rutile upon heating. TiO2 nanoparticles can be efficiently obtained via different synthesis techniques, such as sol-gel, sol, hydrothermal, solvothermal, direct oxidation, chemical or physical vapor deposition, microwave, and reverse micelle methods, which offer the possibility to obtain well-controlled nanoparticle size and morphology. In the different TiO2 applications, its antimicrobial action has attracted a lot of attention in the last few decades. Particularly promising are the hybrid or mixed matrix TiO2- polymeric membranes, which allow separation and simultaneous photocatalytic reaction, without requiring any catalyst recovery operation. Several works have been published on the efficiency of the hybrid inorganic-organic membranes as antimicrobial systems, for bacteria, viruses, fungi and algae disruption. The TiO2 incorporation in/on the polymeric membrane also allows the reduction of fouling and at the same time highly improves water permeability and self-cleaning ability. 

  • 176.
    Marks, Kess
    et al.
    Stockholm Univ, Fysikum, Dept Phys, S-10691 Stockholm, Sweden..
    Ghadami Yazdi, Milad
    KTH, School of Engineering Sciences (SCI), Applied Physics, Materials and Nanophysics.
    Piskorz, Witold
    Jagiellonian Univ Krakow, Fac Chem, Gronostajowa 2, PL-31387 Krakow, Poland..
    Simonov, Konstantin
    Uppsala Univ, Dept Phys & Astron, S-75120 Uppsala, Sweden..
    Stefanuik, Robert
    Uppsala Univ, Dept Phys & Astron, S-75120 Uppsala, Sweden..
    Sostina, Daria
    Paul Scherrer Inst, CH-5232 Villigen, Switzerland..
    Guarnaccio, Ambra
    CNR, ISM, Tito Scalo Unit, I-85050 Potenza, Italy..
    Ovsyannikov, Ruslan
    Helmholtz Zentrum Berlin Mat & Energie, Inst Methods & Instrumentat Synchrotron Radiat Re, ISRR, D-12489 Berlin, Germany..
    Giangrisostomi, Erika
    Helmholtz Zentrum Berlin Mat & Energie, Inst Methods & Instrumentat Synchrotron Radiat Re, ISRR, D-12489 Berlin, Germany..
    Sassa, Yasmine
    Chalmers Univ Technol, Dept Phys, SE-41296 Gothenburg, Sweden..
    Bachellier, Nicolas
    Paul Scherrer Inst, CH-5232 Villigen, Switzerland..
    Muntwiler, Matthias
    Paul Scherrer Inst, CH-5232 Villigen, Switzerland..
    Johansson, Fredrik O. L.
    Uppsala Univ, Dept Phys & Astron, S-75120 Uppsala, Sweden..
    Lindblad, Andreas
    Uppsala Univ, Dept Phys & Astron, S-75120 Uppsala, Sweden..
    Hansson, Tony
    Stockholm Univ, Fysikum, Dept Phys, S-10691 Stockholm, Sweden..
    Kotarba, Andrzej
    Jagiellonian Univ Krakow, Fac Chem, Gronostajowa 2, PL-31387 Krakow, Poland..
    Engvall, Klas
    KTH, School of Engineering Sciences in Chemistry, Biotechnology and Health (CBH), Chemical Engineering, Process Technology.
    Göthelid, Mats
    KTH, School of Engineering Sciences (SCI), Applied Physics, Materials and Nanophysics.
    Harding, Dan J.
    KTH, School of Engineering Sciences in Chemistry, Biotechnology and Health (CBH), Chemical Engineering.
    Ostrom, Henrik
    Stockholm Univ, Fysikum, Dept Phys, S-10691 Stockholm, Sweden..
    Investigation of the surface species during temperature dependent dehydrogenation of naphthalene on Ni(111)2019In: Journal of Chemical Physics, ISSN 0021-9606, E-ISSN 1089-7690, Vol. 150, no 24, article id 244704Article in journal (Refereed)
    Abstract [en]

    The temperature dependent dehydrogenation of naphthalene on Ni(111) has been investigated using vibrational sum-frequency generation spectroscopy, X-ray photoelectron spectroscopy, scanning tunneling microscopy, and density functional theory with the aim of discerning the reaction mechanism and the intermediates on the surface. At 110 K, multiple layers of naphthalene adsorb on Ni(111); the first layer is a flat lying chemisorbed monolayer, whereas the next layer(s) consist of physisorbed naphthalene. The aromaticity of the carbon rings in the first layer is reduced due to bonding to the surface Ni-atoms. Heating at 200 K causes desorption of the multilayers. At 360 K, the chemisorbed naphthalene monolayer starts dehydrogenating and the geometry of the molecules changes as the dehydrogenated carbon atoms coordinate to the nickel surface; thus, the molecule tilts with respect to the surface, recovering some of its original aromaticity. This effect peaks at 400 K and coincides with hydrogen desorption. Increasing the temperature leads to further dehydrogenation and production of H-2 gas, as well as the formation of carbidic and graphitic surface carbon. 

  • 177. Martinez-Sanz, Marta
    et al.
    Olsson, Richard T.
    KTH, School of Chemical Science and Engineering (CHE), Fibre and Polymer Technology.
    Lopez-Rubio, Amparo
    Lagaron, Jose M.
    Development of electrospun EVOH fibres reinforced with bacterial cellulose nanowhiskers. Part I: Characterization and method optimization2011In: Cellulose (London), ISSN 0969-0239, E-ISSN 1572-882X, Vol. 18, no 2, p. 335-347Article in journal (Refereed)
    Abstract [en]

    In the present study, hybrid electrospun EVOH fibres reinforced with bacterial cellulose nanowhiskers (BCNW) were developed and characterized. The nanowhiskers, obtained by sulphuric acid digestion of native bacterial cellulose mats generated by Gluconacetobacter xylinum, were morphologically characterized by SEM and optical microscopy with polarized light and revealed a highly crystalline structure of nanofibrils aggregates. XRD analyses suggested a crystalline structure corresponding to the cellulose I allomorph. It was also confirmed by means of FT-IR spectroscopy that amorphous regions were preferentially digested by the acid treatment, whereas TGA analyses showed a decrease in the thermal stability of the nanowhiskers most likely due to incorporation of sulphate groups and the inherent acidity remaining in the filler even after extensive washing cycles. A method was developed for improving the incorporation of BCNW within the EVOH electrospun fibres, consisting on the addition of the BCNW in the form of a centrifuged precipitate, versus the most conventionally employed freeze-dried nanowhiskers. DSC analyses showed a significant increase in the glass transition temperature of the composites during the second heating run, which may be related to the acidic character of the nanofiller. Finally, sonication was seen to enhance interfacial interaction but to reduce the incorporation of the filler in the matrix in the case of the centrifuged material.

  • 178.
    Martín-Yerga, Daniel
    KTH, School of Engineering Sciences in Chemistry, Biotechnology and Health (CBH), Chemical Engineering, Applied Electrochemistry.
    Electrochemical Detection and Characterization of Nanoparticles with Printed Devices2019In: Biosensors, ISSN 2079-6374, Vol. 9, no 2, article id 47Article, review/survey (Refereed)
    Abstract [en]

    Innovative methods to achieve the user-friendly, quick, and highly sensitive detection of nanomaterials are urgently needed. Nanomaterials have increased importance in commercial products, and there are concerns about the potential risk that they entail for the environment. In addition, detection of nanomaterials can be a highly valuable tool in many applications, such as biosensing. Electrochemical methods using disposable, low-cost, printed electrodes provide excellent analytical performance for the detection of a wide set of nanomaterials. In this review, the foundations and latest advances of several electrochemical strategies for the detection of nanoparticles using cost-effective printed devices are introduced. These strategies will equip the experimentalist with an extensive toolbox for the detection of nanoparticles of different chemical nature and possible applications ranging from quality control to environmental analysis and biosensing.

  • 179.
    Matsushita, Taishi
    et al.
    KTH, School of Industrial Engineering and Management (ITM), Materials Science and Engineering.
    Däcker, C. -Å
    Seetharaman, Seshadri
    KTH, School of Industrial Engineering and Management (ITM), Materials Science and Engineering.
    Thermophysical properties of mould flux from Swedish steel companies2008In: Proc. ICS 2008: The 4th Int. Congress Sci. Technol. Steelmaking, 2008, p. 718-721Conference paper (Refereed)
  • 180.
    Mazinanian, Neda
    KTH, School of Chemical Science and Engineering (CHE), Chemistry, Surface and Corrosion Science.
    Metal Release and Corrosion of Stainless Steel in Simulated Food Contact2016Doctoral thesis, comprehensive summary (Other academic)
    Abstract [en]

    Knowledge on metal release behaviour of stainless steels used in food processing applications and cooking utensils is essential within the framework of human health risk assessments. Recently, a new European test guideline (the CoE protocol) has been implemented to ensure safety of metals and alloys in food contact, such as stainless steels. This guideline suggests 5 gL-1 citric acid (pH 2.4) as a food simulant for acidic foods of pH ≤ 4.5. So far, limited assessments exist that investigate the correlation between the bioaccessibility, material characteristics, corrosion behaviour and surface chemistry of stainless steel for food application tests using citric acid. Therefore, this doctoral thesis comprises an in–depth interdisciplinary and multi–analytical research effort to fill this knowledge gap.

    This work includes thorough investigations of a range of stainless steel grades in simulated food contact as a function of different important parameters such as grades, surface finish, temperature, pH, solution composition, metal complexation and buffering capacity, concentration of the complex forming agents, loading, and repeated usage. This is accomplished by kinetic studies of metal release, electrochemical, and surface analytical investigations. Another focus of this thesis is to assess the dominating metal release process in citric acid or chloride containing solutions of varying pH.

    This study suggests protonation (at acidic pH) and surface complexation (at weakly acidic and neutral pH) as the predominant metal release mechanisms for stainless steel in citric acid solutions. Solution complexation may also play a role by hindering metal precipitation at weakly acidic and neutral pH, and metal release from surface defects / inclusions may initially be important for non-passivated surfaces.

  • 181.
    Mazinanian, Neda
    et al.
    KTH, School of Chemical Science and Engineering (CHE), Chemistry, Surface and Corrosion Science.
    Hedberg, Yolanda
    KTH, School of Chemical Science and Engineering (CHE), Chemistry, Surface and Corrosion Science. Karolinska Institutet, Sweden.
    Metal Release Mechanisms for Passive Stainless Steel in Citric Acid at Weakly Acidic pH2016In: Journal of the Electrochemical Society, ISSN 0013-4651, E-ISSN 1945-7111, Vol. 163, no 10, p. C686-C693Article in journal (Refereed)
    Abstract [en]

    Metal release investigations from stainless steel into citric acid (CA) solutions at near-neutral pH are relevant for food applications, cleaning, and passivation. This study investigated metal release from abraded stainless steel grade AISI 304 into 5 g/L CA at pH 3.1, 4.8, and 6.4 at 40°C, as compared to a control solution (10 mM KNO3). Polyacrylic acid (PAA) was used as a model solution with and without separation from the stainless steel surface by a membrane. No significant difference was found for the released amounts of Fe and Mn between CA, PAA, and KNO3 solutions at pH 3.1, suggesting other mechanisms than complexation. At pH 4.8 and 6.4, a significantly higher release was found for CA and PAA solutions compared with KNO3 solution, but not for PAA solution when PAA molecules could not reach the stainless steel surface due to membrane separation, implying a dominant complexation-induced metal release mechanism that requires adsorption and/or close vicinity of the complexing agent to the surface. Cr was enriched in the surface oxide (surface passivation) in complexing solutions and the release of Cr was most dependent on complexation by CA at pH 4.8 and 6.4.

  • 182.
    Mazinanian, Neda
    et al.
    KTH, School of Chemical Science and Engineering (CHE), Chemistry, Surface and Corrosion Science.
    Hedberg, Yolanda
    KTH, School of Chemical Science and Engineering (CHE), Chemistry, Surface and Corrosion Science.
    Odnevall Wallinder, Inger
    KTH, School of Chemical Science and Engineering (CHE), Chemistry, Surface and Corrosion Science.
    Nickel release and surface characteristics of fine powders of nickel metal and nickel oxide in media of relevance for inhalation and dermal contact2013In: Regulatory toxicology and pharmacology, ISSN 0273-2300, E-ISSN 1096-0295, Vol. 65, no 1, p. 135-146Article in journal (Refereed)
    Abstract [en]

    Differences in surface oxide characteristics and extent of nickel release have been investigated in two thoroughly characterized micron-sized (mainly <4 mu m) nickel metal powders and a nickel oxide bulk powder when immersed in two different synthetic fluids, artificial sweat (ASW-pH 6.5) and artificial lysosomal fluid (ALF-pH 4.5) for time periods up to 24 h. The investigation shows significantly more nickel released from the nickel metal powders (<88%) compared to the NiO powder (<0.1%), attributed to differences in surface properties. Significantly more nickel was released from the nickel metal powder with a thin surface oxide predominantly composed of non-stoichiometric nickel oxide (probably Ni2O3), compared to the release from the nickel metal powder with a thicker surface oxide predominantly composed of NiO and to a lesser extent Ni2O3 (88% and 25% release after 24 h in ALF, respectively). Significantly lower amounts of nickel were released from the nickel metal powders in ASW (2.2% and <1%, respectively). The importance of particle and surface characteristics for any reliable risk assessment is discussed, and generated data compared with literature findings on bioaccessibility (released fraction) of nickel from powders of nickel metal and nickel oxide, and massive forms of nickel metal and nickel-containing alloys.

  • 183.
    Mazinanian, Neda
    et al.
    KTH, School of Chemical Science and Engineering (CHE), Chemistry, Surface and Corrosion Science.
    Herting, Gunilla
    KTH, School of Chemical Science and Engineering (CHE), Chemistry, Surface and Corrosion Science.
    Odnevall Wallinder, Inger
    KTH, School of Chemical Science and Engineering (CHE), Chemistry, Surface and Corrosion Science.
    Hedberg, Yolanda
    KTH, School of Chemical Science and Engineering (CHE), Chemistry, Surface and Corrosion Science.
    Metal release and corrosion resistance of different stainless steel grades in simulated food contact2016In: Corrosion, ISSN 0010-9312, E-ISSN 1938-159X, Vol. 72, no 6, p. 775-790Article in journal (Refereed)
    Abstract [en]

    A new technical guideline has been implemented by the Council of Europe (CoE) to ensure the stability and safety of food contact articles of metals and alloys, using 5 g/L citric acid (pH 2.4) and artificial tap water DIN 10531 (pH 7.5) as food simulants. The objectives of this study were: (i) to quantify the extent of metal release from austenitic (grades AISI 201, 204, 304, and 316L), ferritic (grades AISI 430 and EN 1.4003), and lean duplex stainless steel (grade EN 1.4162) in citric acid (5 g/L, pH 2.4) and in artificial tap water (pH 7.5); (ii) to compare the release of metals to the surface oxide composition, the open circuit potential-time dependence, and the corrosion resistance; and (iii) to elucidate the combined effect of high chloride concentrations (0.5 M NaCl) and citric acid at pH 2.2 and 5.5 on the extent of metal release from AISI 304 with and without prior surface passivation by citric acid. Exposures of all stainless steel grades in citric acid and artificial tap water up to 10 d (at 70°C/40°C) resulted in lower metal release levels than the specific release limits stipulated within the CoE protocol. For all grades, metals were released at levels close to the detection limits when exposed to artificial tap water, and higher release levels were observed when exposed to citric acid. Increased surface passivation, which resulted in reduced metal release rates with time, took place in citric acid for all grades and test conditions (e.g., repeated exposure at 100°C). There was no active corrosion in citric acid at pH 2.4. Fe (in citric acid) and Mn (in all solutions, but mostly tap water) were preferentially released, as compared to their bulk alloy content, from all stainless steel grades. Ni was released to the lowest extent. 0.5 M NaCl induced a very low (close to detection limits) metal release from grade AISI 304 at pH 5.5. When combined with citric acid (5 g/L) and at lower pH (2.2), 0.5 M NaCl induced slightly higher metal release compared to citric acid (pH 2.4) alone for coupons that were not pre-passivated. Pre-passivation in 5 g/L citric acid (pH 2.4) at 70°C for 2 h largely reduced this solution dependence. Pre-passivation resulted in an up to 27-fold reduced extent of metal release in solutions containing citric acid and/or NaCl at pH 2.2 to 5.5, and resulted in improved reproducibility among replicate samples.

  • 184.
    Mazinanian, Neda
    et al.
    KTH, School of Chemical Science and Engineering (CHE), Chemistry, Surface and Corrosion Science.
    Odnevall Wallinder, Inger
    KTH, School of Chemical Science and Engineering (CHE), Chemistry, Surface and Corrosion Science.
    Hedberg, Yolanda
    KTH, School of Chemical Science and Engineering (CHE), Chemistry, Surface and Corrosion Science.
    Influence of Citric Acid on the Metal Release of Stainless Steels2015In: Corrosion Science and Technology, ISSN 1598-6462, Vol. 14, no 4, p. 166-171Article in journal (Refereed)
    Abstract [en]

    Knowledge of how metal releases from the stainless steels used in food processing applications and cooking utensils is essential within the framework of human health risk assessment. A new European standard test protocol for testing metal release in food contact materials made from metals and alloys has recently been published by the Council of Europe. The major difference from earlier test protocols is the use of citric acid as the worst-case food simulant. The objectives of this study were to assess the effect of citric acid at acidic, neutral, and alkaline solution pH on the extent of metal release for stainless steel grades AISI 304 and 316, commonly used as food contact materials. Both grades released lower amounts of metals than the specific release limits when they were tested according to test guidelines. The released amounts of metals were assessed by means of graphite furnace atomic absorption spectroscopy, and changes in the outermost surface composition were determined using X-ray photoelectron spectroscopy. The results demonstrate that both the pH and the complexation capacity of the solutions affected the extent of metal release from stainless steel and are discussed from a mechanistic perspective. The outermost surface oxide was significantly enriched in chromium upon exposure to citric acid, indicating rapid passivation by the acid. This study elucidates the effect of several possible mechanisms, including complex ion- and ligand-induced metal release, that govern the process of metal release from stainless steel under passive conditions in solutions that contain citric acid.

  • 185.
    Medina, Lilian
    KTH, School of Engineering Sciences in Chemistry, Biotechnology and Health (CBH), Fibre- and Polymer Technology, Biocomposites.
    High Clay Content Cellulose Nanocomposites for Mechanical Performance and Fire Retardancy2019Doctoral thesis, comprehensive summary (Other academic)
    Abstract [en]

    Materials based on wood can offer sustainable alternatives to fossil-based plastics and composites, and show interesting mechanical properties. However, the issue of their flammability is generally unresolved. In this thesis, eco-friendly, fire retardant clay-cellulose nanofibril materials are investigated. The work focuses particularly on structure-property relationships and physical properties of these materials. The thesis is structured in two parts. The first part is concerned with paper-like materials, designated as “films”. The second part discusses materials of high-porosity, so-called “foams”.

    In the first part, films of clay and cellulose nanofibrils are prepared by filtration from water. The composition is systematically varied (from 0 to 100% clay) and effects on the nanostructure are investigated by synchrotron X-ray scattering, helium pycnometry and microscopy techniques. The mechanical properties of the films are determined by tensile testing, optical properties are measured by transmittance/haze tests, and strong effects of nanostructure are observed. A film with 50 wt% clay is demonstrated as a fire retardant coating on wood, by cone calorimetry testing. These films are also pre-impregnated with epoxy precursors and cured, to form ternary composites of clay, cellulose nanofibrils, and epoxy. These ternary nanocomposites show remarkably well-preserved mechanical and gas barrier properties in moist environment.

    In the second part, foams of high porosity are prepared by freeze-drying a suspension based on poly(vinyl alcohol), cellulose nanofibrils, and clay. The cellular structure is investigated by scanning electron microscopy, and effects from composition and cross-linking are analyzed. The compressive properties of the foams are determined and related to their structure. Addition of poly(vinyl alcohol) influences the unique degradation and charring behavior of cellulose nanofibrils in the presence of clay so that fire retardancy is decreased.

    The full text will be freely available from 2020-04-22 20:25
  • 186.
    Medina, Lilian
    et al.
    KTH, School of Engineering Sciences in Chemistry, Biotechnology and Health (CBH), Fibre- and Polymer Technology, Biocomposites. KTH, School of Engineering Sciences in Chemistry, Biotechnology and Health (CBH), Centres, Wallenberg Wood Science Center.
    Ansari, Farhan
    KTH, School of Engineering Sciences in Chemistry, Biotechnology and Health (CBH), Centres, Wallenberg Wood Science Center. KTH, School of Engineering Sciences in Chemistry, Biotechnology and Health (CBH), Fibre- and Polymer Technology.
    Carosio, Federico
    Salajkova, Michaela
    Berglund, Lars
    KTH, School of Engineering Sciences in Chemistry, Biotechnology and Health (CBH), Fibre- and Polymer Technology, Biocomposites. KTH, School of Engineering Sciences in Chemistry, Biotechnology and Health (CBH), Centres, Wallenberg Wood Science Center.
    Nanocomposites from Clay, Cellulose Nanofibrils, and Epoxy with Improved Moisture Stability for Coatings and Semi-Structural Applications2019In: ACS Applied Nano Materials, E-ISSN 2574-0970Article in journal (Refereed)
    Abstract [en]

    A new type of high reinforcement content clay-cellulose-thermoset nanocomposite was proposed, where epoxy precursors diffused into a wet porous clay-nanocellulose mat, followed by curing. The processing concept was scaled to > 200 µm thickness composites, the mechanical properties were high for nanocomposites and the materials showed better tensile properties at 90% RH compared with typical nanocellulose materials. The nanostructure and phase distributions were studied using transmission electron microscopy; Young’s modulus, yield strength, ultimate strength and ductility were determined as well as moisture sorption, fire retardancy and oxygen barrier properties. Clay and cellulose contents were varied, as well as the epoxy content. Epoxy had favorable effects on moisture stability, and also improved reinforcement effects at low reinforcement content. More homogeneous nano- and mesoscale epoxy distribution is still required for further property improvements. The materials constitute a new type of three-phase nanocomposites, of interest as coatings, films and as laminated composites for semi-structural applications.

  • 187.
    Medina, Lilian
    et al.
    KTH, School of Engineering Sciences in Chemistry, Biotechnology and Health (CBH), Fibre- and Polymer Technology, Biocomposites.
    Carosio, Federico
    Politecnico di Torino.
    Berglund, Lars
    KTH, School of Engineering Sciences (SCI), Aeronautical and Vehicle Engineering. KTH, School of Engineering Sciences in Chemistry, Biotechnology and Health (CBH), Fibre- and Polymer Technology, Biocomposites. KTH, School of Engineering Sciences in Chemistry, Biotechnology and Health (CBH), Centres, Wallenberg Wood Science Center.
    Recyclable Nanocomposite Foams of Poly(vinyl alcohol), Clay and Cellulose Nanofibrils - Mechanical Properties and Flame RetardancyManuscript (preprint) (Other academic)
  • 188.
    Midander, Klara
    et al.
    KTH, School of Chemical Science and Engineering (CHE), Chemistry, Corrosion Science (closed 20081231).
    Odnevall Wallinder, Inger
    KTH, School of Chemical Science and Engineering (CHE), Chemistry, Corrosion Science (closed 20081231).
    Leygraf, Christofer
    KTH, School of Chemical Science and Engineering (CHE), Chemistry, Corrosion Science (closed 20081231).
    Bioaccessibility of nano- and micron-sized metallic particles in simulated lung systems2008Conference paper (Refereed)
    Abstract [en]

    Ambient airborne particles of varying size and composition, originating from anthropogenic and natural sources are today a recognized health risk in the society. The rapid development of engineered nanomaterials, including particles, is believed to become an issue of large concern. At present, few efforts have been made to investigate potential adverse health effects of nano- and micron sized metallic particles. Reliable data on surface properties and reactivity of metallic particles and its correlation to toxicity is scarce. Bioaccessibility data, in terms of metal release, is believed to reflect the toxic effects of metallic particles. The metal release process is influenced by particle size, i.e. surface area, shape and material type, e.g. passive/non-passive, pure/alloy/oxide as well as the exposure environment, e.g. within the lung. The assessment of potentially adverse health effects due to particles requires the correlation between toxic effects, bioaccessibility properties and surface characteristics. Within this context, the material aspects of metal release from Cu-particles were studied in-vitro by exposure in different synthetic biological media that simulate, to some extent, a realistic inhalation scenario. Particle toxicity in terms of DNA damage and cytotoxic effects was studied in collaboration with human toxicologists at Karolinska Institutet, and aerosol scientists at Stockholm University, using epithelial human lung cells.

  • 189.
    Mikhaylova, Maria
    et al.
    KTH, Superseded Departments, Materials Science and Engineering.
    Kim, Do-Kyung
    KTH, Superseded Departments, Materials Science and Engineering.
    Berry, CC
    Zagorodni, Andrei
    KTH, Superseded Departments, Materials Science and Engineering.
    Toprak, Muhammet S.
    KTH, Superseded Departments, Materials Science and Engineering.
    Curtis, ASG
    Muhammed, Mamoun
    KTH, Superseded Departments, Materials Science and Engineering.
    BSA immobilization on amine-functionalized superparamagnetic iron oxide nanoparticles2004In: Chemistry of Materials, ISSN 0897-4756, E-ISSN 1520-5002, Vol. 16, no 12, p. 2344-2354Article in journal (Refereed)
    Abstract [en]

    Immobilization of bovine serum albumin (BSA) on surface-modified superparamagnetic iron oxide nanoparticles (SPION) has been performed by two different double-step immobilization approaches. The first approach consists of preparation of SPION by controlled chemical coprecipitation in the presence of BSA solution, whereas the second approach includes preliminary surface modification of SPION with an amine group using a coupling agent of 3-aminepropyltrimethoxysilane (APTMS). Both procedures are followed by 1-ethyl-3-(3-dimethylaminepropyl) carbodiimide hydrochloride (EDC) activation with sequential immobilization of the layer of BSA. Additionally, an attempt to modify the surface of SPION with amine and carboxylic groups is undertaken by using L-aspartic acid (LAA). TEM shows that the particle size varies in the range 10-15 nm and does not change significantly after the coating process. The presence of BSA and amine groups on the surface of SPION is confirmed by FT-IR. Magnetic properties are investigated by VSM and results indicate that the superparamagnetic properties are retained for BSA-coated SPION while reducing the value of saturation magnetization (M-s). The binding capacity is estimated from thermo-gravimetric and chemical analyse;. APTMS-coated SPION show higher BSA binding capacity compared to that of coprecipitated SPION in the presence of BSA. In vitro tests have been performed after the functionalization of SPION with LAA and BSA. Human dermal fibroblasts are incubated with the surface-modified SPION for 6 and 24 h to observe cell behavior, morphology, cytoskeletal organization, and interactions between cell and SPION. BSA-coated SPION incubated with cells demonstrated a cell response similar to that of control cells, with no adverse cell damage and no endocytosis, whereas LAA-coated SPION show partial endocytosis without cytoskeletal disorganization.

  • 190. Mille, C.
    et al.
    Tyrode, Eric C.
    KTH, School of Chemical Science and Engineering (CHE), Chemistry, Surface and Corrosion Science.
    Corkery, Robert W.
    KTH, School of Chemical Science and Engineering (CHE), Chemistry, Physical Chemistry (closed 20110630).
    3-D chiral photonic crystals replicated from butterfly wing scales2011In: Materials Research Society Symposium Proceedings: Volume 1389, 2011, p. 7-12Conference paper (Refereed)
    Abstract [en]

    Three dimensional silica photonic crystals with the gyroid minimal surface structure have been synthesized using the butterfly Callophrys rubi as a template. The replicas are synthesized with a high degree of fidelity, which is confirmed by the spectral and morphological characterization. Further, the material is shown to be optically active.

  • 191. Mishra, G.
    et al.
    Mittal, Nitesh
    KTH, School of Engineering Sciences (SCI), Mechanics, Fluid Physics. KTH, School of Chemical Science and Engineering (CHE), Centres, Wallenberg Wood Science Center.
    Sharma, A.
    Multifunctional Mesoporous Carbon Capsules and their Robust Coatings for Encapsulation of Actives: Antimicrobial and Anti-bioadhesion Functions2017In: ACS Applied Materials and Interfaces, ISSN 1944-8244, E-ISSN 1944-8252, Vol. 9, no 23, p. 19371-19379Article, review/survey (Refereed)
    Abstract [en]

    We present the synthesis and applications of multifunctional hollow porous carbon spheres with well-ordered pore architecture and ability to encapsulate functional nanoparticles. In the present work, the applications of hollow mesoporous carbon capsules (HMCCs) are illustrated in two different contexts. In the first approach, the hollow capsule core is used to encapsulate silver nanoparticles to impart antimicrobial characteristics. It is shown that silver-loaded HMCCs (concentration ?100 μg/mL) inhibit the growth and multiplication of bacterial colonies of Escherichia coli (Gram-negative) and Staphylococcus aureus (Gram-positive) up to 96% and 83%, respectively. In the second part, the fabrication of hierarchical micro- and nanostructured superhydrophobic coatings of HMCCs (without encapsulation with silver nanoparticles) is evaluated for anti-bioadhesion properties. Studies of protein adsorption and microorganism and platelet adhesion have shown a significant reduction (up to 100%) for the HMCC-based superhydrophobic surfaces compared with the control surfaces. Therefore, this unique architecture of HMCCs and their coatings with the ability to encapsulate functional materials make them a promising candidate for a variety of applications.

  • 192. Mishra, Y. K.
    et al.
    Natarajan Arul, Murugan
    KTH, School of Engineering Sciences in Chemistry, Biotechnology and Health (CBH), Theoretical Chemistry and Biology.
    Kotakoski, J.
    Adam, J.
    Progress in electronics and photonics with nanomaterials2017In: Vacuum, ISSN 0042-207X, E-ISSN 1879-2715, Vol. 146, p. 304-307Article in journal (Refereed)
    Abstract [en]

    Nanomaterials have been at the center of attraction for almost five decades as their contributions to different disciplines such as electronics, photonics and medicine are enormous. Various kinds of nanomaterials have been developed and are currently utilized in innumerable applications. Nevertheless, their simple realization and easy and efficient upscaling are topics under intense investigation. Innovative strategies have been adopted for nanomaterial synthesis and their usability. Here, we provide a brief overview on nanomaterials ranging from basic understanding of their structure-property relationship to advanced applications. This editorial covers various aspects about nanomaterials, which will be useful/attractive for beginners in the field of nanotechnology as well as for experts and for industrialists looking forward to exploit them for real world applications.

  • 193.
    Mittal, Nitesh
    et al.
    KTH, School of Engineering Sciences (SCI), Mechanics. KTH, School of Biotechnology (BIO), Protein Technology. KTH, School of Engineering Sciences (SCI), Centres, Linné Flow Center, FLOW. KTH, School of Chemical Science and Engineering (CHE), Centres, Wallenberg Wood Science Center.
    Jansson, Ronnie
    KTH, School of Biotechnology (BIO), Protein Technology.
    Widhe, Mona
    KTH, School of Biotechnology (BIO), Protein Technology.
    Benselfelt, Tobias
    KTH, School of Chemical Science and Engineering (CHE), Fibre and Polymer Technology. KTH, School of Chemical Science and Engineering (CHE), Centres, Wallenberg Wood Science Center. Innventia AB, Sweden.
    Håkansson, Karl M. O.
    KTH, School of Engineering Sciences (SCI), Mechanics. KTH, School of Engineering Sciences (SCI), Centres, Linné Flow Center, FLOW.
    Lundell, Fredrik
    KTH, School of Engineering Sciences (SCI), Mechanics. KTH, School of Biotechnology (BIO), Protein Technology. KTH, School of Engineering Sciences (SCI), Centres, Linné Flow Center, FLOW. KTH, School of Chemical Science and Engineering (CHE), Centres, Wallenberg Wood Science Center.
    Hedhammar, My
    KTH, School of Biotechnology (BIO), Protein Technology.
    Söderberg, Daniel
    KTH, School of Biotechnology (BIO), Protein Technology. KTH, School of Engineering Sciences (SCI), Mechanics. KTH, School of Engineering Sciences (SCI), Centres, Linné Flow Center, FLOW. KTH, School of Chemical Science and Engineering (CHE), Centres, Wallenberg Wood Science Center.
    Ultrastrong and Bioactive Nanostructured Bio-Based Composites2017In: ACS Nano, ISSN 1936-0851, E-ISSN 1936-086X, Vol. 11, no 5, p. 5148-5159Article in journal (Refereed)
    Abstract [en]

    Nature’s design of functional materials relies on smart combinations of simple components to achieve desired properties. Silk and cellulose are two clever examples from nature–spider silk being tough due to high extensibility, whereas cellulose possesses unparalleled strength and stiffness among natural materials. Unfortunately, silk proteins cannot be obtained in large quantities from spiders, and recombinant production processes are so far rather expensive. We have therefore combined small amounts of functionalized recombinant spider silk proteins with the most abundant structural component on Earth (cellulose nanofibrils (CNFs)) to fabricate isotropic as well as anisotropic hierarchical structures. Our approach for the fabrication of bio-based anisotropic fibers results in previously unreached but highly desirable mechanical performance with a stiffness of ∼55 GPa, strength at break of ∼1015 MPa, and toughness of ∼55 MJ m–3. We also show that addition of small amounts of silk fusion proteins to CNF results in materials with advanced biofunctionalities, which cannot be anticipated for the wood-based CNF alone. These findings suggest that bio-based materials provide abundant opportunities to design composites with high strength and functionalities and bring down our dependence on fossil-based resources.

  • 194. Molochnikov, L S
    et al.
    Kovalyova, E G
    Grigor'ev, I A
    Zagorodni, Andrei A.
    KTH, Superseded Departments, Materials Science and Engineering.
    Direct measurement of H+ activity inside cross-linked functional polymers using nitroxide spin probes2004In: Journal of Physical Chemistry B, ISSN 1520-6106, E-ISSN 1520-5207, Vol. 108, no 4, p. 1302-1313Article in journal (Refereed)
    Abstract [en]

    The lack of a direct method for measuring activity inside ion-exchamye resins was the main obstacle for strict thermodynamic investigations of such objects during the past decades. This paper proposes a method for the activity determination. The method is based on exploring the ESR response of stable nitroxide radicals introduced as probes into the resin phase. This method allows for the measurement of the hydrogen ion activity inside cross-linked polyelectrolytes. In addition to the method verification, the paper reports its application to the determination of ionization constants of functional groups and to the investigation of the hydrolysis and sorption of copper on different types of sorbents (weak cation and anion-exchange resins, functionalized and nonfunctionalized polymeric films). The applicability of known thermodynamic approaches developed for the investigation of micelles and biomembranes with nitroxide radicals is discussed. The paper also includes a critical analysis of the potentiometric method conventionally used for the investigation of ion-exchange equilibria.

  • 195.
    Mongkhontreerat, Surinthra
    et al.
    KTH, School of Chemical Science and Engineering (CHE), Fibre and Polymer Technology, Coating Technology.
    Öberg, Kim
    KTH, School of Chemical Science and Engineering (CHE), Fibre and Polymer Technology, Coating Technology.
    Erixon, Lina
    KTH, School of Chemical Science and Engineering (CHE), Fibre and Polymer Technology.
    Löwenhielm, Peter
    Hult, Anders
    KTH, School of Chemical Science and Engineering (CHE), Fibre and Polymer Technology, Coating Technology.
    Malkoch, Michael
    KTH, School of Chemical Science and Engineering (CHE), Fibre and Polymer Technology, Coating Technology.
    UV initiated thiol-ene chemistry: a facile and modular synthetic methodology for the construction of functional 3D networks with tunable properties2013In: Journal of Materials Chemistry A, ISSN 2050-7488, Vol. 1, no 44, p. 13732-13737Article in journal (Refereed)
    Abstract [en]

    A facile methodology for the fabrication of functional crosslinked three dimensional (3D) networks has herein been explored via the benign and UV initiated thiol-ene coupling (TEC) chemistry. The careful selection of monomers or polymers and their feed ratio resulted in straightforward design of organic, inorganic and hydrogel networks with readily available alkenes or thiol functional groups. All crosslinked networks were fabricated within 1 second of UV exposure at wavelengths of 320-390 nm and generally exhibited excellent gel fractions around 90%. By introducing off-stoichiometric thiol and ene (OSTE) monomer feed ratios the window of mechanical properties could be manipulated. For the organic triazine system, the Young's modulus was altered from 780 MPa at an equimolar monomer ratio to soft 106 kPa for 2.5 equiv. with excess of thiol compared to enes. Postfunctionalizations with hydrophilic polyethylene glycols or acrylic acid and hydrophobic heneicosa-fluorododecyl acrylate were explored for the manipulation of functional networks. In this case, the rigid networks with excess of thiols were used as model substrates of which the initial contact angle (CA) of 60 degrees was decreased to 43 degrees by the introduction of acrylic acid and increased to 140 degrees by successful attachment of fluorinated molecules. Finally, amalgamating micropatterning strategy with simple postfunctionalizations of hydrophobic groups resulted in superhydrophobic rigid surfaces with a CA of 173 degrees.

  • 196. Moriana, Rosana
    et al.
    Vilaplana, Francisco
    KTH, School of Chemical Science and Engineering (CHE), Fibre and Polymer Technology.
    Karlsson, Sigbritt
    KTH, School of Chemical Science and Engineering (CHE), Fibre and Polymer Technology.
    Ribes-Greus, Amparo
    Improved thermo-mechanical properties by the addition of natural fibres in starch-based sustainable biocomposites2011In: Composites. Part A, Applied science and manufacturing, ISSN 1359-835X, E-ISSN 1878-5840, Vol. 42, no 1, p. 30-40Article in journal (Refereed)
    Abstract [en]

    Sustainable biocomposites based on thermoplastic starch copolymers (Mater-Bi KE03B1) and biofibres (cotton, hemp and kenaf) were prepared and characterised in terms of their thermo-mechanical and morphological properties. Biocomposites exhibit improved thermal stability and mechanical properties in comparison with the Mater-Bi KE. Biofibres act as suitable thermal stabilizers for the Mater-Bi KE, by increasing the maximum decomposition temperature and the Ea associated to the thermal decomposition process. Biofibre addition into the Mater-Bi KE results in higher storage modulus and in a reduction of the free-volume-parameter associated to the Mater-Bi KE glass transition. The influence of different biofibres on the thermo-mechanical properties of the biocomposites has been discussed. Hemp and kenaf enhance the thermal stability and reduce the free volume-parameter of Mater-Bi KE more significantly than cotton fibres, although the latter exhibits the highest mechanical performance. These differences may be explained by the improved interaction of lignocellulosic fibres with the Mater-Bi KE, due to the presence of hemicellulose and lignin in their formulation.

  • 197. Muhmood, L.
    et al.
    Viswanathan, N. N.
    Seetharaman, Seshadri
    KTH, School of Industrial Engineering and Management (ITM), Materials Science and Engineering, Materials Process Science.
    A new approach for the diffusion coefficient evaluation of sulfur in CaO-SiO2-Al2O3 slag2011In: 6th International Conference on Diffusion in Solids and Liquids, DSL-2010, 2011, p. 626-634Conference paper (Refereed)
    Abstract [en]

    The Diffusion coefficient of sulfur in a ternary slag with composition of 51.5% CaO- 9.6% SiO2- 38.9% Al2O3 was measured at 1723 K by chemical diffusion from the variation of concentration of sulfur in silver metal. A MATLAB program was developed to find the concentration variation of sulfur in silver metal using various critical parameters like the diffusion coefficient of sulfur in slag available in literature, sulfur partition ratio, sulfide capacity of the slag and the its density. The P S2 and PO2 pressures were calculated from the Gibbs energy of the equilibrium reaction between CaO in the slag and solid CaS and confirming the same by using ThermoCalc. The density of the slag at 1723 K was obtained from earlier experiments. Initially the order of magnitude for the diffusion coefficient was taken from the works of Saito and Kawai but later was modified so that the concentration changes of Sulfur obtained from the program agreed with the experimental results. The diffusion coefficient of sulfur in 51.5% CaO- 9.6% SiO2- 38.9% Al2O3 slag at 1723 K was estimated as 4.14×10-6 cm2/sec.

  • 198. Müller, C.
    et al.
    Ouyang, Liangqi
    KTH, School of Engineering Sciences in Chemistry, Biotechnology and Health (CBH), Fibre- and Polymer Technology, Fibre Technology.
    Lund, A.
    Moth-Poulsen, K.
    Hamedi, Mahiar
    KTH, School of Engineering Sciences in Chemistry, Biotechnology and Health (CBH), Fibre- and Polymer Technology, Fibre Technology.
    From Single Molecules to Thin Film Electronics, Nanofibers, e-Textiles and Power Cables: Bridging Length Scales with Organic Semiconductors2019In: Advanced Materials, article id 1807286Article in journal (Refereed)
    Abstract [en]

    Organic semiconductors are the centerpiece of several vibrant research fields from single-molecule to organic electronics, and they are finding increasing use in bioelectronics and even classical polymer technology. The versatile chemistry and broad range of electronic functionalities of conjugated materials enable the bridging of length scales 15 orders of magnitude apart, ranging from a single nanometer (10 −9 m) to the size of continents (10 6 m). This work provides a taste of the diverse applications that can be realized with organic semiconductors. The reader will embark on a journey from single molecular junctions to thin film organic electronics, supramolecular assemblies, biomaterials such as amyloid fibrils and nanofibrillated cellulose, conducting fibers and yarns for e-textiles, and finally to power cables that shuffle power across thousands of kilometers.

  • 199. Naderi, Ali
    et al.
    Lindstrom, Tom
    Weise, Christoph F.
    Flodberg, Goren
    Sundstrom, Jonas
    Junel, Kristina
    Erlandsson, Johan
    KTH, School of Chemical Science and Engineering (CHE), Fibre and Polymer Technology, Fibre Technology.
    Runebjork, AnneMarie
    Phosphorylated nanofibrillated cellulose: production and properties2016In: Nordic Pulp & Paper Research Journal, ISSN 0283-2631, E-ISSN 2000-0669, Vol. 31, no 1, p. 20-29Article in journal (Refereed)
    Abstract [en]

    Phosphate functionalized nanofibrillated cellulose (NFC) was produced through an industrially attractive process, by reacting wood pulp with a phosphate containing salt, followed by mechanical delamination through microfluidization. The degrees of delamination of the phosphorylated NFCs (judged by among others AFM-imaging, rheological studies and tensile strength measurements on NFC films) were found to improve with increasing functionalization of the pulp and number of microfluidization-passes. The NFC systems were found to display similar characteristics as other well-known NFC systems. Interestingly, however, the sufficiently delaminated phosphorylated NFCs exhibited significantly lower oxygen permeability values (at RH 50%) than the published values of several well-known highly delaminated NFC systems. The potential application of the phosphorylated NFC in packaging applications can hence be envisaged.

  • 200.
    Neranon, Kitjanit
    et al.
    KTH, School of Chemical Science and Engineering (CHE), Chemistry, Organic Chemistry.
    Ramström, Olof
    KTH, School of Chemical Science and Engineering (CHE), Chemistry, Organic Chemistry.
    Stimuli-Responsive, Multivalent Glycodendrimer/Metalloglycodendrimer Assemblies for Targeted DeliveryManuscript (preprint) (Other academic)
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