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  • 1.
    Ahlgren, Per
    et al.
    Uppsala Universitet.
    Jeppsson, Tobias
    KTH, Library, Bibliometrics.
    Stenberg, Esa
    Uppsala Universitet.
    Berg, Erik
    Uppsala Universitet.
    Edström, Kristina
    Uppsala Universitet.
    BATTERY 2030+ and its Research Roadmap: A Bibliometric Analysis.2023In: ChemSusChem, ISSN 1864-5631, E-ISSN 1864-564X, Vol. 16, no 21, article id e202300333Article in journal (Refereed)
    Abstract [en]

    In this bibliometric study, we analyze two of the six battery research subfields identified in the BATTERY 2030+ roadmap: Materials Acceleration Platform and Smart functionalities: Sensing. In addition, we analyze the entire research field related to BATTERY 2030+ as a whole. We (a) evaluate the European standing in the two subfields/the BATTERY 2030+ field in comparison to the rest of the world, and (b) identify strongholds of the two subfields/the BATTERY 2030+ field across Europe. For each subfield and the field as a whole, we used seed articles, i. e. articles listed in the BATTERY 2030+ roadmap or cited by such articles, in order to generate additional, similar articles located in an algorithmically obtained classification system. The output of the analysis is publication volumes, field normalized citation impact values with comparisons between country/country aggregates and between organizations, co-publishing networks between countries and organizations, and keyword co-occurrence networks.

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  • 2. Beller, M.
    et al.
    Centi, G.
    Sun, Licheng
    KTH, School of Chemical Science and Engineering (CHE), Chemistry, Organic Chemistry.
    Chemistry Future: Priorities and Opportunities from the Sustainability Perspective2017In: ChemSusChem, ISSN 1864-5631, E-ISSN 1864-564X, Vol. 10, no 1, p. 6-13Article in journal (Refereed)
    Abstract [en]

    To celebrate the 10 year anniversary of ChemSusChem, we as the chairmen of the editorial board are writing this Essay to summarize important scientific contributions to our journal during the past decade in terms of sustainable science and technology. Bibliometric analysis of published papers show that biorefinery, solar energy conversion, energy-storage materials, and carbon dioxide utilizations attracted most attention in this area. According to our own knowledge and understanding and from the sustainability point of view, we are also pointing out those research directions that we believe can play key roles in the future chemistry to meet the grand challenges in energy and environment. Hopefully, these perspective aspects will provide the readers with new angles to look at the chemistry in the coming decades and inspire the development of new technologies to make our society sustainable.

  • 3.
    Benselfelt, Tobias
    et al.
    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, Fibre Technology. School of Materials Science and Engineering, Nanyang Technological University, 639798, Singapore, Singapore.
    Kummer, Nico
    Laboratory for Cellulose & Wood Materials, Empa – Swiss Federal Laboratories for Materials Science and Technology, Überlandstrasse 129, 8600, Dübendorf, Switzerland, Überlandstrasse 129; Department of Health Sciences and Technology, ETH Zürich, 8092, Zürich, Switzerland.
    Nordenström, Malin
    KTH, School of Engineering Sciences in Chemistry, Biotechnology and Health (CBH), Fibre- and Polymer Technology, Fibre Technology. KTH, School of Engineering Sciences in Chemistry, Biotechnology and Health (CBH), Centres, Wallenberg Wood Science Center.
    Fall, Andreas B.
    RISE Bioeconomy, 114 28, Stockholm, Sweden.
    Nyström, Gustav
    Laboratory for Cellulose & Wood Materials, Empa – Swiss Federal Laboratories for Materials Science and Technology, Überlandstrasse 129, 8600, Dübendorf, Switzerland, Überlandstrasse 129; Department of Health Sciences and Technology, ETH Zürich, 8092, Zürich, Switzerland.
    Wågberg, Lars
    KTH, School of Engineering Sciences in Chemistry, Biotechnology and Health (CBH), Fibre- and Polymer Technology, Fibre Technology. KTH, School of Engineering Sciences in Chemistry, Biotechnology and Health (CBH), Centres, Wallenberg Wood Science Center.
    The Colloidal Properties of Nanocellulose2023In: ChemSusChem, ISSN 1864-5631, E-ISSN 1864-564X, ChemSusChem, ISSN 1864-5631, Vol. 16, no 8, article id e202201955Article, review/survey (Refereed)
    Abstract [en]

    Nanocelluloses are anisotropic nanoparticles of semicrystalline assemblies of glucan polymers. They have great potential as renewable building blocks in the materials platform of a more sustainable society. As a result, the research on nanocellulose has grown exponentially over the last decades. To fully utilize the properties of nanocelluloses, a fundamental understanding of their colloidal behavior is necessary. As elongated particles with dimensions in a critical nanosize range, their colloidal properties are complex, with several behaviors not covered by classical theories. In this comprehensive Review, we describe the most prominent colloidal behaviors of nanocellulose by combining experimental data and theoretical descriptions. We discuss the preparation and characterization of nanocellulose dispersions, how they form networks at low concentrations, how classical theories cannot describe their behavior, and how they interact with other colloids. We then show examples of how scientists can use this fundamental knowledge to control the assembly of nanocellulose into new materials with exceptional properties. We hope aspiring and established researchers will use this Review as a guide.

  • 4. Budarin, Vitaliy L
    et al.
    Clark, James H
    Henschen, Jonatan
    Farmer, Thomas J
    Macquarrie, Duncan J
    Mascal, Mark
    Nagaraja, Gundibasappa K
    Petchey, Tabitha H M
    Processed Lignin as a Byproduct of the Generation of 5-(Chloromethyl)furfural from Biomass: A Promising New Mesoporous Material.2015In: ChemSusChem, ISSN 1864-5631, E-ISSN 1864-564X, Vol. 8, no 24, p. 4172-9Article in journal (Refereed)
    Abstract [en]

    The lignin by-product of the conversion of lignocellulosic biomass to 5-(chloromethyl)furfural (CMF) has been characterised by thermogravimetric analysis, N2 physisorption porosimetry, attenuated internal reflectance IR spectroscopy, elemental analysis and solid-state NMR spectroscopy. The lignin (LCMF) has a moderate level of mesoporosity before thermal treatment and a surface area of 63 m(2)  g(-1) , which increases dramatically on pyrolysis at temperatures above 400 °C. An assessment of the functionality and textural properties of the material was achieved by analysing LCMF treated thermally over a range of pyrolysis temperatures. Samples were sulfonated to test their potential as heterogeneous acid catalysts in the esterification of levulinic acid. It was shown that unpyrolysed catalysts gave the highest ester yields of up to 93 %. To the best of our knowledge, this is the first example of mesoporous lignin with an appreciable surface area that is produced directly from a bio-refinery process and with further textural modification of the material demonstrated.

  • 5. Chen, C.
    et al.
    Zhang, P.
    Wang, M.
    Zheng, D.
    Chen, J.
    Li, F.
    Wu, X.
    Fan, K.
    Sun, Licheng
    KTH, School of Chemical Science and Engineering (CHE), Centres, Centre of Molecular Devices, CMD. KTH, School of Engineering Sciences in Chemistry, Biotechnology and Health (CBH), Chemistry, Organic chemistry.
    Boosting Electrocatalytic Water Oxidation by Creating Defects and Lattice-Oxygen Active Sites on Ni-Fe Nanosheets2020In: ChemSusChem, ISSN 1864-5631, E-ISSN 1864-564X, Vol. 13, no 18, p. 5067-5072Article in journal (Refereed)
    Abstract [en]

    Layered nickel-iron oxide/hydroxide nanosheets have proven to be the most efficient catalyst for the water oxidation reaction. Introducing structural defects to the nanosheets is a particularly attractive method for increasing the number of active sites and tailoring the intrinsic electronic properties. Herein, defects were introduced on Ni−Fe nanosheets through sequentially electrodoping and dedoping the surface of the material with tetramethylammonium ions. The as-prepared defect-rich Ni−Fe nanosheets showed an enhanced catalytic performance for the oxygen evolution reaction (OER) compared with conventional NiFe layered double hydroxides (LDHs), exhibiting an overpotential of only 172 mV at the current density of 10 mA cm−2. The relationship between pH and OER activity indicated that the lattice oxygens participated in the catalytic OER process as active sites. This work provides new insights into the understanding of the structure-activity relationship of layered materials and helps to develop new methods to implement defects on such frameworks aided by organic molecules.

  • 6. Chen, Cheng
    et al.
    Yang, Xichuan
    Cheng, Ming
    Zhang, Fuguo
    Sun, Licheng
    KTH, School of Chemical Science and Engineering (CHE), Chemistry, Organic Chemistry. KTH, School of Chemical Science and Engineering (CHE), Centres, Centre of Molecular Devices, CMD.
    Degradation of Cyanoacrylic Acid-Based Organic Sensitizers in Dye-Sensitized Solar Cells2013In: ChemSusChem, ISSN 1864-5631, E-ISSN 1864-564X, Vol. 6, no 7, p. 1270-1275Article in journal (Refereed)
    Abstract [en]

    Organic dyes have become widely used in dye-sensitized solar cells (DSSCs) because of their good performance, flexible structural modifications, and low costs. To increase the photostability of organic dye-based DSSCs, we conducted a full study on the degradation mechanism of cyanoacrylic acid-based organic sensitizers in DSSCs. The results showed that with the synergy between water and UV light, the sensitizer could desorb from the TiO2 surface and the cyanoacrylic acid unit of the sensitizer was transformed into the aldehyde group. It was also observed that the water content had a great effect on the degradation process. Our experiments conducted using O-18-labeled water demonstrated that the oxygen atom of the aldehyde group identified in the degraded dye came from the solvent water in the DSSCs. Therefore, controlling the water content during DSSC fabrication, good sealing of cells, and filtering the UV light are crucial to produce DSSCs that are more durable and robust.

  • 7. Chen, Hu
    et al.
    Gao, Yan
    Sun, Licheng
    KTH, School of Chemical Science and Engineering (CHE), Chemistry, Organic Chemistry. Dalian Univ Technol, Peoples R China.
    Highly Active Three-Dimensional NiFe/Cu2O Nanowires/Cu Foam Electrode for Water Oxidation2017In: ChemSusChem, ISSN 1864-5631, E-ISSN 1864-564X, Vol. 10, no 7, p. 1475-1481Article in journal (Refereed)
    Abstract [en]

    Water splitting is of paramount importance for exploiting renewable energy-conversion and -storage systems, but is greatly hindered by the kinetically sluggish oxygen evolution reaction (OER). In this work, a three-dimensional, highly efficient, and durable NiFe/Cu2O nanowires/Cu foam anode (NiFe/Cu2O NWs/CF) for water oxidation in 1.0m KOH was developed. The obtained electrode exhibited a current density of 10mAcm(-2) at a uniquely low overpotential of =215mV. The average specific current density (j(s)) was estimated, on the basis of the electrocatalytically active surface area, to be 0.163mAcm(-2) at =310mV. The electrode also displayed a low Tafel slope of 42mVdecade(-1). Moreover, the NiFe/Cu2O NWs/CF electrode could maintain a steady current density of 100mAcm(-2) for 50h at an overpotential of =260mV. The outstanding electrochemical performance of the electrode for the OER was attributed to the high conductivity of the Cu foam and the specific structure of the electrode with a large interfacial area.

  • 8. Cheng, Ming
    et al.
    Yang, Xichuan
    Zhao, Jianghua
    Chen, Cheng
    Tan, Qin
    Zhang, Fuguo
    Sun, Licheng
    KTH, School of Chemical Science and Engineering (CHE), Chemistry, Organic Chemistry. KTH, School of Chemical Science and Engineering (CHE), Centres, Centre of Molecular Devices, CMD.
    Efficient Organic Dye-Sensitized Solar Cells: Molecular Engineering of Donor-Acceptor-Acceptor cationic dyes2013In: ChemSusChem, ISSN 1864-5631, E-ISSN 1864-564X, Vol. 6, no 12, p. 2322-2329Article in journal (Refereed)
    Abstract [en]

    Three metal-free donor-acceptor-acceptor sensitizers with ionized pyridine and a reference dye were synthesized, and a detailed investigation of the relationship between the dye structure and the photophysical and photoelectrochemical properties and the performance of dye-sensitized solar cells (DSSCs) is described. The ionization of pyridine results in a red shift of the absorption spectrum in comparison to that of the reference dye. This is mainly attributable to the ionization of pyridine increasing the electron-withdrawing ability of the total acceptor part. Incorporation of the strong electron-withdrawing units of pyridinium and cyano acrylic acid gives rise to optimized energy levels, resulting in a large response range of wavelengths. When attached to TiO2 film, the conduction band of TiO2 is negatively shifted to a different extent depending on the dye. This is attributed to the electron recombination rate between the TiO2 film and the electrolyte being efficiently suppressed by the introduction of long alkyl chains and thiophene units. DSSCs assembled using these dyes show efficiencies as high as 8.8%.

  • 9.
    Cong, Jiayan
    et al.
    KTH, School of Chemical Science and Engineering (CHE), Chemistry, Applied Physical Chemistry.
    Hao, Yan
    Boschloo, Gerrit
    Kloo, Lars
    KTH, School of Chemical Science and Engineering (CHE), Chemistry, Applied Physical Chemistry.
    Electrolytes Based on TEMPO-Co Tandem Redox Systems Outperform Single Redox Systems in Dye-sensitized Solar Cells2015In: ChemSusChem, ISSN 1864-5631, E-ISSN 1864-564X, Vol. 8, no 2, p. 264-268Article in journal (Refereed)
    Abstract [en]

    A new TEMPO-Co tandem redox system with TEMPO and Co(bpy)(3)(2+/3+) has been investigated for the use in dye-sensitized solar cells (DSSCs). A large open-circuit voltage (V-OC) increase, from 862 mV to 965 mV, was observed in the tandem redox system, while the short-circuit current density (J(SC)) was maintained. The conversion efficiency was observed to increase from 7.1% for cells containing the single Co(bpy)(3)(2+/3+) redox couple, to 8.4% for cells containing the TEMPO-Co tandem redox system. The reason for the increase in V-OC and overall efficiency is ascribed to the involvement of partial regeneration of the sensitizing dye molecules by TEMPO. This assumption can be verified through the observed much faster regeneration dynamics exhibited in the presence of the tandem system. Using the tandem redox system, the faster recombination problem of the single TEMPO redox couple is resolved and the mass-transport of the metal-complex-based electrolyte is also improved. This TEMPO-Co tandem system is so far the most effienct tandem redox electrolyte reported not involving iodine. The current results show a promising future for tandem system as replacements for single redox systems in electrolytes for DSSCs.

  • 10. Dau, H.
    et al.
    Fujita, E.
    Sun, Licheng
    KTH, School of Chemical Science and Engineering (CHE), Chemistry.
    Artificial Photosynthesis: Beyond Mimicking Nature2017In: ChemSusChem, ISSN 1864-5631, E-ISSN 1864-564X, Vol. 10, no 22, p. 4228-4235Article in journal (Refereed)
    Abstract [en]

    In this Editorial, Guest Editors Holger Dau, Etsuko Fujita, and Licheng Sun introduce the Special Issue of ChemSusChem on “Artificial Photosynthesis for Sustainable Fuels”. They discuss the need for non-fossil based fuels, introduce both biological and artificial photosynthesis, and outline various important concepts in artificial photosynthesis, including molecular and solid-state catalysts for water oxidation and hydrogen evolution, catalytic CO2 reduction, and photoelectrochemical systems.

  • 11. Ding, Xin
    et al.
    Gao, Yan
    Ye, Lu
    Zhang, Linlin
    Sun, Licheng
    KTH, School of Chemical Science and Engineering (CHE), Chemistry, Organic Chemistry.
    Assembling Supramolecular Dye-Sensitized Photoelectrochemical Cells for Water Splitting2015In: ChemSusChem, ISSN 1864-5631, E-ISSN 1864-564X, Vol. 8, no 23, p. 3992-3995Article in journal (Refereed)
    Abstract [en]

    The method used to assemble dye-sensitized photoelectrochemical (DS-PEC) devices plays a vital role in determining its photoactivity and stability. We report a simple and effective method to assemble supramolecular DS-PECs introducing PMMA as support material and a catalyst modified with long carbon chains as photoanodes. The long carbon chains in combination with PMMA allow to better immobilize the catalyst. DS-PECs obtained by this simple method have display excellent photoactivities and stabilities. A photocurrent density of 1.1mAcm(-2) and a maximum IPCE of 9.5% have been obtained with a 0.2V vs NHE external bias.

  • 12.
    Fan, Ke
    et al.
    KTH, School of Chemical Science and Engineering (CHE), Chemistry, Organic Chemistry.
    Li, Fusheng
    KTH, School of Chemical Science and Engineering (CHE), Chemistry, Organic Chemistry.
    Wang, Lei
    KTH, School of Chemical Science and Engineering (CHE), Chemistry, Organic Chemistry.
    Quentin, Daniel
    KTH, School of Chemical Science and Engineering (CHE), Chemistry, Organic Chemistry.
    Chen, H.
    Gabrielsson, Erik
    KTH, School of Chemical Science and Engineering (CHE), Chemistry, Organic Chemistry.
    Sun, J.
    Sun, Licheng
    KTH, School of Chemical Science and Engineering (CHE), Chemistry, Organic Chemistry. State Key Laboratory of Fine Chemicals, DUT-KTH Joint Education and Research Center on Molecular Devices, Dalian University of Technology (DUT), Dalian, China.
    Immobilization of a Molecular Ruthenium Catalyst on Hematite Nanorod Arrays for Water Oxidation with Stable Photocurrent2015In: ChemSusChem, ISSN 1864-5631, E-ISSN 1864-564X, Vol. 8, no 19, p. 3242-3247Article in journal (Refereed)
    Abstract [en]

    Photoelectrochemical (PEC) cells for light-driven water splitting are prepared using hematite nanorod arrays on conductive glass as the photoanode. These devices improve the photocurrent of the hematite-based photoanode for water splitting, owing to fewer surface traps and decreased electron recombination resulting from the one-dimensional structure. By employing a molecular ruthenium co-catalyst, which contains a strong 2,6-pyridine-dicarboxylic acid anchoring group at the hematite photoanode, the photocurrent of the PEC cell is enhanced with high stability for over 10000s in a 1M KOH solution. This approach can pave a route for combining one-dimensional nanomaterials and molecular catalysts to split water with high efficiency and stability.

  • 13.
    Fan, Lizhou
    et al.
    KTH, School of Engineering Sciences in Chemistry, Biotechnology and Health (CBH), Chemistry, Organic chemistry.
    Zhang, Biaobiao
    KTH, School of Engineering Sciences in Chemistry, Biotechnology and Health (CBH), Chemistry, Organic chemistry.
    Qiu, Zhen
    Dharanipragada, N. V. R. Aditya
    Timmer, Brian
    Zhang, Fuguo
    Sheng, Xia
    Liu, Tianqi
    Meng, Qijun
    Inge, A. Ken
    Edvinsson, Tomas
    Sun, Licheng
    KTH, School of Chemical Science and Engineering (CHE), Centres, Centre of Molecular Devices, CMD. KTH, Superseded Departments (pre-2005), Chemistry. KTH, School of Engineering Sciences in Chemistry, Biotechnology and Health (CBH), Chemistry, Organic chemistry.
    Molecular functionalization of NiO nanocatalyst for enhanced water oxidation by electronic structure engineeringIn: ChemSusChem, ISSN 1864-5631, E-ISSN 1864-564XArticle in journal (Refereed)
    Abstract [en]

    Tuning the local environment of nanomaterial-based catalysts has emerged as an effective approach to optimize their oxygen evolution reaction (OER) performance, yet the controlled electronic modulation around surface active sites remains a grand challenge. Herein, we achieve directed electronic modulation of NiO nanoparticles by simple surface molecular modification with small organic molecules. By adjusting the electronic properties of modifying molecules, the local electronic structure is rationally tailored and a close electronic structure-activity relationship is discovered: the increasing electron-withdrawing modification readily decreases the electron density around surface Ni sites, accelerating the reaction kinetics and improving OER activity, and vice versa. Detailed investigation by operando Raman spectroelectrochemistry revealed that the electron-withdrawing modification facilitates the charge transfer kinetics, stimulates the catalyst reconstruction, and promotes abundant high-valent γ-NiOOH reactive species generation. The NiO-C6F5 catalyst, with the optimized electronic environment, exhibits superior performance towards water oxidation. This work provides a well-designed and effective approach for heterogeneous catalyst fabrication under the molecular level.

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  • 14.
    Guo, Boyang
    et al.
    KTH, School of Engineering Sciences in Chemistry, Biotechnology and Health (CBH), Fibre- and Polymer Technology, Coating Technology. KTH, Centres, Science for Life Laboratory, SciLifeLab.
    Lopez-Lorenzo, Ximena
    KTH, School of Engineering Sciences in Chemistry, Biotechnology and Health (CBH), Fibre- and Polymer Technology, Coating Technology. KTH, Centres, Science for Life Laboratory, SciLifeLab.
    Fang, Yuan
    KTH, School of Engineering Sciences in Chemistry, Biotechnology and Health (CBH), Chemistry, Applied Physical Chemistry.
    Bäckström, Eva
    KTH, School of Engineering Sciences in Chemistry, Biotechnology and Health (CBH), Fibre- and Polymer Technology, Polymer Technology.
    Capezza, Antonio Jose
    KTH, School of Engineering Sciences in Chemistry, Biotechnology and Health (CBH), Fibre- and Polymer Technology, Polymeric Materials.
    Vanga, Sudarsana Reddy
    KTH, School of Engineering Sciences in Chemistry, Biotechnology and Health (CBH), Fibre- and Polymer Technology, Coating Technology. KTH, Centres, Science for Life Laboratory, SciLifeLab.
    Furo, Istvan
    KTH, School of Engineering Sciences in Chemistry, Biotechnology and Health (CBH), Chemistry, Applied Physical Chemistry.
    Hakkarainen, Minna
    KTH, School of Engineering Sciences in Chemistry, Biotechnology and Health (CBH), Fibre- and Polymer Technology, Polymer Technology.
    Syrén, Per-Olof
    KTH, Centres, Science for Life Laboratory, SciLifeLab. KTH, School of Engineering Sciences in Chemistry, Biotechnology and Health (CBH), Fibre- and Polymer Technology, Coating Technology.
    Fast Depolymerization of PET Bottle Mediated by Microwave Pre-Treatment and An Engineered PETase2023In: ChemSusChem, ISSN 1864-5631, E-ISSN 1864-564X, Vol. 16, no 18, article id e202300742Article in journal (Refereed)
    Abstract [en]

    Recycling plastics is the key to reaching a sustainable materials economy. Biocatalytic degradation of plastics shows great promise by allowing selective depolymerization of man-made materials into constituent building blocks under mild aqueous conditions. However, insoluble plastics have polymer chains that can reside in different conformations and show compact secondary structures that offer low accessibility for initiating the depolymerization reaction by enzymes. In this work, we overcome these shortcomings by microwave irradiation as a pre-treatment process to deliver powders of polyethylene terephthalate (PET) particles suitable for subsequent biotechnology-assisted plastic degradation by previously generated engineered enzymes. An optimized microwave step resulted in 1400 times higher integral of released terephthalic acid (TPA) from high-performance liquid chromatography (HPLC), compared to original untreated PET bottle. Biocatalytic plastic hydrolysis of substrates originating from PET bottles responded to 78 % yield conversion from 2 h microwave pretreatment and 1 h enzymatic reaction at 30 °C. The increase in activity stems from enhanced substrate accessibility from the microwave step, followed by the administration of designer enzymes capable of accommodating oligomers and shorter chains released in a productive conformation.

  • 15. Hao, Yan
    et al.
    Yang, Xichuan
    Zhou, Meizhen
    Cong, Jiayan
    Wang, Xiuna
    Hagfeldt, Anders
    KTH, School of Chemical Science and Engineering (CHE), Chemistry, Physical Chemistry. KTH, School of Chemical Science and Engineering (CHE), Centres, Centre of Molecular Devices, CMD.
    Sun, Licheng
    Molecular Design to Improve the Performance of Donor-p Acceptor Near-IR Organic Dye-Sensitized Solar Cells2011In: ChemSusChem, ISSN 1864-5631, E-ISSN 1864-564X, Vol. 4, no 11, p. 1601-1605Article in journal (Refereed)
    Abstract [en]

    Near-dye experience: Long, flexible carbon chains in the lateral anchoring groups of the donor part of a donor-π acceptor organic dye increase the power conversion efficiency dramatically. This performance enhancement can be ascribed to the prevention of the formation of molecular aggregates on the semiconductor nanoparticles, resulting in a lower recombination rate between transported electrons and I3- ions. A cell based on the new dye, HY113, gives a maximum IPCE value of 93% at 660nm.

  • 16.
    Huang, Jin
    et al.
    Laboratory of Polymeric and Composite Materials (LPCM), Center of Innovation and Research in Materials and Polymers (CIRMAP), University of Mons, Place du Parc 23, 7000 Mons, Belgium School of Chemistry, University of Birmingham, Edgbaston, Birmingham, B15 2TT UK.
    Worch, Joshua C.
    Dove, Andrew P.
    Coulembier, A.
    Update and Challenges in Carbon Dioxide-Based Polycarbonate Synthesis2020In: ChemSusChem, ISSN 1864-5631, E-ISSN 1864-564X, Vol. 13, no 3, p. 469-487Article in journal (Refereed)
    Abstract [en]

    The utilization of carbon dioxide as a comonomer to produce polycarbonates has attracted a great deal of attention from both industrial and academic communities because it promises to replace petroleum-derived plastics and supports a sustainable environment. Significant progress in the copolymerization of cyclic ethers (e.g., epoxide, oxetane) and carbon dioxide has been made in recent decades, owing to the rapid development of catalysts. In this Review, the focus is to summarize and discuss recent advances in the development of homogeneous catalysts, including metal- and organo-based complexes, as well as the preparation of carbon dioxide-based block copolymer and functional polycarbonates.

  • 17. Ji, Y.
    et al.
    Wang, G.
    Fan, T.
    Luo, Yi
    KTH, School of Engineering Sciences in Chemistry, Biotechnology and Health (CBH), Theoretical Chemistry and Biology.
    First-Principles Study on the Molecular Mechanism of Solar-Driven CO2 Reduction on H-Terminated Si2020In: ChemSusChem, ISSN 1864-5631, E-ISSN 1864-564XArticle in journal (Refereed)
    Abstract [en]

    Solar-driven conversion of CO2 with H-terminated silicon has recently attracted increasing interest. However, the molecular mechanism of the reaction is still not well understood. A systematic study of the mechanism has been carried out with first-principles calculations. The formation energies of the intermediates are found to be insensitive to the structure of the surface. On the fully H-terminated Si(111) surface, several pathways for the conversion of CO2 into CO at a coordinatively saturated Si site are studied, including the conventional COOH* pathway and the direct insertion of CO2 into Si−H and Si−Si bonds. Although the barrier of the COOH* pathway is lowest among the three pathways, it is higher than that for OH* elimination, which suggests that CO2 should be converted by other types of active site. The reaction at the isolated and dual coordinatively unsaturated (CUS) Si sites, which can be generated by light illumination, heat, and Pd loading, are then studied. The results suggest that the most efficient pathway to convert CO2 is to convert it into CO and O* at an isolated CUS Si site before O* reacts with a terminating H* to form adsorbed OH* and generate new isolated CUS Si sites. Therefore, the CUS Si site catalyzes the reaction until all H* is converted into OH*. The results provide new insight into the mechanism of the reaction and should be helpful for the design of more efficient Si-based catalysts for CO2 conversion. 

  • 18. Jiang, X.
    et al.
    Yu, Z.
    Lai, J.
    Zhang, Y.
    Hu, M.
    Lei, N.
    Wang, D.
    Yang, X.
    Sun, Licheng
    KTH, School of Chemical Science and Engineering (CHE), Chemistry, Organic Chemistry.
    Interfacial Engineering of Perovskite Solar Cells by Employing a Hydrophobic Copper Phthalocyanine Derivative as Hole-Transporting Material with Improved Performance and Stability2017In: ChemSusChem, ISSN 1864-5631, E-ISSN 1864-564X, Vol. 10, no 8, p. 1838-1845Article in journal (Refereed)
    Abstract [en]

    In high-performance perovskite solar cells (PSCs), hole-transporting materials (HTMs) play an important role in extracting and transporting the photo-generated holes from the perovskite absorber to the cathode, thus reducing unwanted recombination losses and enhancing the photovoltaic performance. Herein, solution-processable tetra-4-(bis(4-tert-butylphenyl)amino)phenoxy-substituted copper phthalocyanine (CuPc-OTPAtBu) was synthesized and explored as a HTM in PSCs. The optical, electrochemical, and thermal properties were fully characterized for this organic metal complex. The photovoltaic performance of PSCs employing this CuPc derivative as a HTM was further investigated, in combination with a mixed-ion perovskite as a light absorber and a low-cost vacuum-free carbon as cathode. The optimized devices [doped with 6 % (w/w) tetrafluoro-tetracyano-quinodimethane (F4TCNQ)] showed a decent power conversion efficiency of 15.0 %, with an open-circuit voltage of 1.01 V, a short-circuit current density of 21.9 mA cm−2, and a fill factor of 0.68. Notably, the PSC devices studied also exhibited excellent long-term durability under ambient condition for 720 h, mainly owing to the introduction of the hydrophobic HTM interlayer, which prevents moisture penetration into the perovskite film. The present work emphasizes that solution-processable CuPc holds a great promise as a class of alternative HTMs that can be further explored for efficient and stable PSCs in the future.

  • 19. Jönsson, C.
    et al.
    Wei, R.
    Biundo, Antonino
    KTH, School of Engineering Sciences in Chemistry, Biotechnology and Health (CBH), Fibre- and Polymer Technology, Coating Technology. School of Engineering Sciences in Chemistry, Biotechnology and Health, KTH Royal Institute of Technology, Science for Life Laboratory, Tomtebodavägen 23, Box 1031 171 21 Solna, Stockholm, Sweden.
    Landberg, J.
    Schwarz Bour, L.
    Pezzotti, F.
    Toca, A.
    M. Jacques, L.
    Bornscheuer, U. T.
    Syrén, Per-Olof
    KTH, Centres, Science for Life Laboratory, SciLifeLab. 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.
    Biocatalysis in the Recycling Landscape for Synthetic Polymers and Plastics towards Circular Textiles2021In: ChemSusChem, ISSN 1864-5631, E-ISSN 1864-564X, Vol. 14, no 19, p. 4028-4040Article in journal (Refereed)
    Abstract [en]

    Although recovery of fibers from used textiles with retained material quality is desired, separation of individual components from polymer blends used in today's complex textile materials is currently not available at viable scale. Biotechnology could provide a solution to this pressing problem by enabling selective depolymerization of recyclable fibers of natural and synthetic origin, to isolate constituents or even recover monomers. We compiled experimental data for biocatalytic polymer degradation with a focus on synthetic polymers with hydrolysable links and calculated conversion rates to explore this path The analysis emphasizes that we urgently need major research efforts: beyond cellulose-based fibers, biotechnological-assisted depolymerization of plastics so far only works for polyethylene terephthalate, with degradation of a few other relevant synthetic polymer chains being reported. In contrast, by analyzing market data and emerging trends for synthetic fibers in the textile industry, in combination with numbers from used garment collection and sorting plants, it was shown that the use of difficult-to-recycle blended materials is rapidly growing. If the lack of recycling technology and production trend for fiber blends remains, a volume of more than 3400 Mt of waste will have been accumulated by 2030. This work highlights the urgent need to transform the textile industry from a biocatalytic perspective.

  • 20.
    Karlsson, Maria
    et al.
    KTH, School of Engineering Sciences in Chemistry, Biotechnology and Health (CBH), Fibre- and Polymer Technology, Wood Chemistry and Pulp Technology.
    Giummarella, Nicola
    KTH, School of Engineering Sciences in Chemistry, Biotechnology and Health (CBH), Fibre- and Polymer Technology.
    Lindén, Pär
    KTH, School of Engineering Sciences in Chemistry, Biotechnology and Health (CBH), Fibre- and Polymer Technology. KTH, School of Engineering Sciences in Chemistry, Biotechnology and Health (CBH), Centres, Wallenberg Wood Science Center.
    Lawoko, Martin
    KTH, School of Engineering Sciences in Chemistry, Biotechnology and Health (CBH), Fibre- and Polymer Technology.
    Toward a Consolidated Lignin Biorefinery: Preserving the Lignin Structure through Additive-Free Protection Strategies.2020In: ChemSusChem, ISSN 1864-5631, E-ISSN 1864-564X, Vol. 13, no 17, p. 4666-4677Article in journal (Refereed)
    Abstract [en]

    As part of the continuing efforts in lignin-first biorefinery concepts, this study concerns a consolidated green processing approach to obtain high yields of hemicelluloses and lignin with a close to native molecular structure, leaving a fiber fraction enriched in crystalline cellulose. This is done by subcritical water extraction of hemicelluloses followed by organosolv lignin extraction. This initial report focuses on a detailed characterization of the lignin component, with the aim of unravelling processing strategies for the preservation of the native linkages while still obtaining good yields and high purity. To this effect, a static cycle process is developed as a physical protection strategy for lignin, and advanced NMR analysis is applied to study structural changes in lignin. Chemical protection mechanisms in the cyclic method are also reported and contrasted with the mechanisms in a reference batch extraction process where the role of homolytic cleavage in subsequent repolymerization reactions is elucidated.

  • 21.
    Kärkäs, Markus D.
    Department of Organic Chemistry, Arrhenius Laboratory, Stockholm University, Svante Arrhenius väg 16C, SE-106 91 Stockholm, Sweden.
    Lignin Hydrogenolysis: Improving Lignin Disassembly through Formaldehyde Stabilization2017In: ChemSusChem, ISSN 1864-5631, E-ISSN 1864-564X, Vol. 10, no 10, p. 2111-2115Article, review/survey (Refereed)
    Abstract [en]

    Lignocellulosic biomass is available in large quantities and constitutes an attractive feedstock for the sustainable production of bulk and fine chemicals. Although methods have been established for the conversion of its cellulosic fractions, valorization of lignin has proven to be challenging. The difficulty in disassembling lignin originates from its heterogeneous structure and its propensity to undergo skeletal rearrangements and condensation reactions during biorefinery fractionation or biomass pretreatment processes. A strategy for hindering the generation of these resistive interunit linkages during biomass pretreatment has now been devised using formaldehyde as a stabilizing agent. The developed method when combined with Ru/C‐catalyzed hydrogenolysis allows for efficient disassembly of all three biomass fractions: (cellulose, hemicellulose, and lignin) and suggests that lignin upgrading can be integrated into prevailing biorefinery schemes.

  • 22. Lang, A. W.
    et al.
    Li, Yuanyuan
    KTH, School of Engineering Sciences in Chemistry, Biotechnology and Health (CBH), Fibre- and Polymer Technology.
    De Keersmaecker, M.
    Shen, D. E.
    Österholm, A.M.
    Berglund, Lars
    KTH, School of Engineering Sciences in Chemistry, Biotechnology and Health (CBH), Fibre- and Polymer Technology.
    Reynolds, J. R.
    Transparent Wood Smart Windows: Polymer Electrochromic Devices Based on Poly(3,4-Ethylenedioxythiophene):Poly(Styrene Sulfonate) Electrodes2018In: ChemSusChem, ISSN 1864-5631, E-ISSN 1864-564X, Vol. 11, no 5, p. 854-863Article in journal (Refereed)
    Abstract [en]

    Transparent wood composites, with their high strength and toughness, thermal insulation, and excellent transmissivity, offer a route to replace glass for diffusely transmitting windows. Here, conjugated-polymer-based electrochromic devices (ECDs) that switch on-demand are demonstrated using transparent wood coated with poly(3,4-ethylenedioxythiophene):poly(styrene sulfonate) (PEDOT:PSS) as a transparent conducting electrode. These ECDs exhibit a vibrant magenta-to-clear color change that results from a remarkably colorless bleached state. Furthermore, they require low energy and power inputs of 3 mWh m−2 at 2 W m−2 to switch due to a high coloration efficiency (590 cm2 C−1) and low driving voltage (0.8 V). Each device component is processed with high-throughput methods, which highlights the opportunity to apply this approach to fabricate mechanically robust, energy-efficient smart windows on a large scale. 

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  • 23. Lee, H.
    et al.
    Wu, X.
    Sun, Licheng
    KTH, School of Engineering Sciences in Chemistry, Biotechnology and Health (CBH), Chemistry, Organic chemistry.
    Homogeneous Electrochemical Water Oxidation at Neutral pH by Water-Soluble NiII Complexes Bearing Redox Non-innocent Tetraamido Macrocyclic Ligands2020In: ChemSusChem, ISSN 1864-5631, E-ISSN 1864-564XArticle in journal (Refereed)
    Abstract [en]

    Water oxidation is the bottleneck reaction in artificial photosynthesis. Exploring highly active and stable molecular water oxidation catalysts (WOCs) is still a great challenge. In this study, a water-soluble NiII complex bearing a redox non-innocent tetraamido macrocyclic ligand (TAML) is found to be an efficient electrocatalyst for water oxidation in neutral potassium phosphate buffer. Controlled-potential electrolysis experiments show that it can sustain at a steady current of approximately 0.2 mA cm−2 for >7 h at 1.75 V versus normal hydrogen electrode (NHE) without the formation of NiOx. Electrochemical and spectroelectrochemical tests show that the redox-active ligand, as well as HPO4 2− in the buffer, participate in the catalytic cycle. More importantly, catalytically active intermediate [NiIII(TAML2−)−O.] is formed via several proton-coupled electron transfer processes and reacts with H2O with the assistance of base to release molecular oxygen. Thus, the employment of redox non-innocent ligands is a useful strategy for designing effective molecular WOCs. 

  • 24. Lee, H.
    et al.
    Wu, X.
    Yang, X.
    Sun, Licheng
    KTH, School of Engineering Sciences in Chemistry, Biotechnology and Health (CBH), Chemistry.
    Ligand-Controlled Electrodeposition of Highly Intrinsically Active and Optically Transparent NiFeOxHy Film as a Water Oxidation Electrocatalyst2017In: ChemSusChem, ISSN 1864-5631, E-ISSN 1864-564X, Vol. 10, no 23, p. 4690-4694Article in journal (Refereed)
    Abstract [en]

    A highly intrinsically active and optically transparent NiFeOxHy water oxidation catalyst was prepared by electrodeposition of [Ni(C12-tpen)](ClO4)2 complex (Ni−C12). This NiFeOxHy film has a current density of 10 mA cm−2 with an overpotential (η) of only 298 mV at nanomolar concentration and the current density of 10 mA cm−2 remains constant over 22 h in 1 m KOH. The extremely high turnover frequency of 0.51 s−1 was obtained with η of 300 mV. More importantly, such outstanding activity and transparency (optical loss <0.5 %) of the NiFeOxHy film are attributed to a ligand effect of the dodecyl substituent in Ni−C12, which enables its future application in solar water splitting.

  • 25.
    Li, Yuanyuan
    et al.
    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.
    Fu, Qiliang
    Rojas, Ramiro
    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, Coating Technology.
    Yan, Min
    KTH, School of Engineering Sciences (SCI), Applied Physics, Optics and Photonics, OFO.
    Lawoko, Martin
    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.
    Berglund, 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.
    Lignin-Retaining Transparent Wood2017In: ChemSusChem, ISSN 1864-5631, E-ISSN 1864-564X, Vol. 10, no 17, p. 3445-3451Article in journal (Refereed)
    Abstract [en]

    Optically transparent wood, combining optical and mechanical performance, is an emerging new material for light-transmitting structures in buildings with the aim of reducing energy consumption. One of the main obstacles for transparent wood fabrication is delignification, where around 30wt% of wood tissue is removed to reduce light absorption and refractive index mismatch. This step is time consuming and not environmentally benign. Moreover, lignin removal weakens the wood structure, limiting the fabrication of large structures. A green and industrially feasible method has now been developed to prepare transparent wood. Up to 80wt% of lignin is preserved, leading to a stronger wood template compared to the delignified alternative. After polymer infiltration, a high-lignin-content transparent wood with transmittance of 83%, haze of 75%, thermal conductivity of 0.23WmK(-1), and work-tofracture of 1.2MJm(-3) (a magnitude higher than glass) was obtained. This transparent wood preparation method is efficient and applicable to various wood species. The transparent wood obtained shows potential for application in energy-saving buildings.

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  • 26.
    Lindahl, Niklas
    et al.
    Chalmers Univ Technol, Dept Phys, SE-41296 Gothenburg, Sweden..
    Eriksson, Björn
    KTH, School of Engineering Sciences in Chemistry, Biotechnology and Health (CBH), Chemical Engineering, Applied Electrochemistry.
    Groenbeck, Henrik
    Chalmers Univ Technol, Dept Phys, SE-41296 Gothenburg, Sweden..
    Wreland Lindström, Rakel
    KTH, School of Engineering Sciences in Chemistry, Biotechnology and Health (CBH), Chemical Engineering, Applied Electrochemistry.
    Lindbergh, Göran
    KTH, School of Engineering Sciences in Chemistry, Biotechnology and Health (CBH), Chemical Engineering, Applied Electrochemistry.
    Lagergren, Carina
    KTH, School of Engineering Sciences in Chemistry, Biotechnology and Health (CBH), Chemical Engineering, Applied Electrochemistry.
    Wickman, Bjoern
    Chalmers Univ Technol, Dept Phys, SE-41296 Gothenburg, Sweden..
    Fuel Cell Measurements with Cathode Catalysts of Sputtered Pt3Y Thin Films2018In: ChemSusChem, ISSN 1864-5631, E-ISSN 1864-564X, Vol. 11, no 9, p. 1438-1445Article in journal (Refereed)
    Abstract [en]

    Fuel cells are foreseen to have an important role in sustainable energy systems, provided that catalysts with higher activity and stability are developed. In this study, highly active sputtered thin films of platinum alloyed with yttrium (Pt3Y) are deposited on commercial gas diffusion layers and their performance in a proton exchange membrane fuel cell is measured. After acid pretreatment, the alloy is found to have up to 2.5 times higher specific activity than pure platinum. The performance of Pt3Y is much higher than that of pure Pt, even if all of the alloying element was leached out from parts of the thin metal film on the porous support. This indicates that an even higher performance is expected if the structure of the Pt3Y catalyst or the support could be further improved. The results show that platinum alloyed with rare earth metals can be used as highly active cathode catalyst materials, and significantly reduce the amount of platinum needed, in real fuel cells.

  • 27.
    Martín-Yerga, Daniel
    et al.
    KTH, School of Engineering Sciences in Chemistry, Biotechnology and Health (CBH), Chemical Engineering. Department of Chemistry, University of Warwick, Coventry, CV47AL United Kingdom.
    White, Jai
    KTH, School of Engineering Sciences in Chemistry, Biotechnology and Health (CBH), Chemical Engineering, Applied Electrochemistry.
    Henriksson, Gunnar
    KTH, School of Engineering Sciences in Chemistry, Biotechnology and Health (CBH), Fibre- and Polymer Technology, Wood Chemistry and Pulp Technology.
    Cornell, Ann M.
    KTH, School of Engineering Sciences in Chemistry, Biotechnology and Health (CBH), Chemical Engineering, Applied Electrochemistry.
    Structure–Reactivity Effects of Biomass-based Hydroxyacids for Sustainable Electrochemical Hydrogen Production2021In: ChemSusChem, ISSN 1864-5631, E-ISSN 1864-564X, Vol. 14, no 8, p. 1902-1912Article in journal (Refereed)
    Abstract [en]

    Biomass electro-oxidation is a promising approach for the sustainable generation of H2 by electrolysis with simultaneous synthesis of value-added chemicals. In this work, the electro-oxidation of two structurally different organic hydroxyacids, lactic acid and gluconic acid, was studied comparatively to understand how the chemical structure of the hydroxyacid affects the electrochemical reactivity under various conditions. It was concluded that hydroxyacids such as gluconic acid, with a considerable density of C−OH groups, are highly reactive and promising for the sustainable generation of H2 by electrolysis at low potentials and high conversion rates (less than −0.15 V vs. Hg/HgO at 400 mA cm−2) but with low selectivity to specific final products. In contrast, the lower reactivity of lactic acid did not enable H2 generation at very high conversion rates (<100 mA cm−2), but the reaction was significantly more selective (64 % to pyruvic acid). This work shows the potential of biomass-based organic hydroxyacids for sustainable generation of H2 and highlights the importance of the chemical structure on the reactivity and selectivity of the electro-oxidation reactions.

  • 28.
    Mushi, Ngesa Ezekiel Zekiel
    et al.
    KTH, School of Chemical Science and Engineering (CHE), Fibre and Polymer Technology.
    Kochumalayil, Joby J.
    KTH, School of Chemical Science and Engineering (CHE), Fibre and Polymer Technology.
    Cervin, Nicholas Tchang Chang
    KTH, School of Chemical Science and Engineering (CHE), Centres, Wallenberg Wood Science Center.
    Zhou, Qi
    KTH, School of Biotechnology (BIO), Glycoscience.
    Berglund, Lars A.
    KTH, School of Chemical Science and Engineering (CHE), Fibre and Polymer Technology.
    Nanostructurally Controlled Hydrogel Based on Small-Diameter Native Chitin Nanofibers: Preparation, Structure, and Properties2016In: ChemSusChem, ISSN 1864-5631, E-ISSN 1864-564XArticle in journal (Refereed)
    Abstract [en]

    Chitin nanofibers of unique structure and properties can be obtained from crustacean and fishery waste. These chitin nanofibers have roughly 4nm diameters, aspect ratios between 25-250, a high degree of acetylation and preserved crystallinity, and can be potentially applied in hydrogels. Hydrogels with a chitin nanofiber content of 0.4, 0.6, 0.8, 1.0, 2.0, and 3.0wt% were successfully prepared. The methodology for preparation is new, environmentally friendly, and simple as gelation is induced by neutralization of the charged colloidal mixture, inducing precipitation and secondary bond interaction between nanofibers. Pore structure and pore size distributions of corresponding aerogels are characterized using auto-porosimetry, revealing a substantial fraction of nanoscale pores. To the best of our knowledge, the values for storage (13kPa at 3wt%) and compression modulus (309kPa at 2wt%) are the highest reported for chitin nanofibers hydrogels.

  • 29. Sarkar, Kuhu
    et al.
    Braden, Erik V.
    Pogorzalek, Stefan
    Yu, Shun
    Deutsches Elektronen-Synchrotron DESY, Germany.
    Roth, Stephan V.
    Müller-Buschbaum, Peter
    Monitoring structural dynamics of in situ spray-deposited zinc oxide films for application in dye-sensitized solar cells2014In: ChemSusChem, ISSN 1864-5631, E-ISSN 1864-564X, Vol. 7, p. 2140-2145Article in journal (Refereed)
    Abstract [en]

    The spray-deposition technique is an effective and scalable method to deposit zinc oxide nanostructures, which are used as active layers for dye-sensitized solar cells (DSSCs) in the present study. The dynamics of structural evolution are studied with grazing incidence small-angle X-ray scattering during in situ spraying. Nanostructured films obtained through multiple spray shots provide suitable structural length scales, morphologies, and film thicknesses; this leads to reasonable performance in a DSSC with the highest short-circuit current density reported so far.

  • 30.
    Shatskiy, Andrey
    et al.
    Stockholm Univ, Arrhenius Lab, Dept Organ Chem, Svante Arrhenius Vag 16C, S-10691 Stockholm, Sweden..
    Bardin, Andrey A.
    Stockholm Univ, Arrhenius Lab, Dept Organ Chem, Svante Arrhenius Vag 16C, S-10691 Stockholm, Sweden.;Russian Acad Sci, Inst Problems Chem Phys, Academician Semenovs Prospect 1g, Moscow 142432, Russia..
    Oschmann, Michael
    Stockholm Univ, Arrhenius Lab, Dept Organ Chem, Svante Arrhenius Vag 16C, S-10691 Stockholm, Sweden..
    Matheu, Roc
    BIST, Inst Chem Res Catalonia ICIQ, Avinguda Paisos Catalans 16, Tarragona 43007, Spain..
    Benet-Buchholz, Jordi
    BIST, Inst Chem Res Catalonia ICIQ, Avinguda Paisos Catalans 16, Tarragona 43007, Spain..
    Eriksson, Lars
    Stockholm Univ, Arrhenius Lab, Dept Mat & Environm Chem, Svante Arrhenius Vag 16C, S-10691 Stockholm, Sweden..
    Kärkäs, Markus D.
    KTH, School of Engineering Sciences in Chemistry, Biotechnology and Health (CBH), Chemistry, Organic chemistry.
    Johnston, Eric, V
    Stockholm Univ, Arrhenius Lab, Dept Organ Chem, Svante Arrhenius Vag 16C, S-10691 Stockholm, Sweden.;Sigrid Therapeut AB, Sankt Goransgatan 159, S-11217 Stockholm, Sweden..
    Gimbert-Surinach, Carolina
    BIST, Inst Chem Res Catalonia ICIQ, Avinguda Paisos Catalans 16, Tarragona 43007, Spain..
    Llobet, Antoni
    BIST, Inst Chem Res Catalonia ICIQ, Avinguda Paisos Catalans 16, Tarragona 43007, Spain.;Univ Autonoma Barcelona, Dept Quim, E-08193 Barcelona, Spain..
    Akermark, Bjorn
    Stockholm Univ, Arrhenius Lab, Dept Organ Chem, Svante Arrhenius Vag 16C, S-10691 Stockholm, Sweden..
    Electrochemically Driven Water Oxidation by a Highly Active Ruthenium-Based Catalyst2019In: ChemSusChem, ISSN 1864-5631, E-ISSN 1864-564X, Vol. 12, no 10, p. 2251-2262Article in journal (Refereed)
    Abstract [en]

    The highly active ruthenium-based water oxidation catalyst [Ru-X(mcbp)(OHn)(py)(2)] [mcbp(2-)=2,6-bis(1-methyl-4-(carboxylate)benzimidazol-2-yl)pyridine; n=2, 1, and 0 for X=II, III, and IV, respectively], can be generated in a mixture of Ru-III and Ru-IV states from either [Ru-II(mcbp)(py)(2)] or [Ru-III(Hmcbp)(py)(2)](2+) precursors. The precursor complexes are isolated and characterized by single-crystal X-ray analysis, NMR, UV/Vis, EPR, and FTIR spectroscopy, ESI-HRMS, and elemental analysis, and their redox properties are studied in detail by electrochemical and spectroscopic methods. Unlike the parent catalyst [Ru(tda) (py)(2)] (tda(2-)=[2,2:6,2-terpyridine]-6,6-dicarboxylate), for which full transformation into the catalytically active species [Ru-IV(tda)(O)(py)(2)] could not be carried out, stoichiometric generation of the catalytically active Ru-aqua complex [Ru-X(mcbp)(OHn)(py)(2)] from the Ru-II precursor was achieved under mild conditions (pH7.0) and short reaction times. The redox properties of the catalyst were studied and its activity for electrocatalytic water oxidation was evaluated, reaching a maximum turnover frequency (TOFmax) of around 40000s(-1) at pH9.0 (from foot-of-the-wave analysis), which is comparable to the activity of the state-of-the-art catalyst [Ru-IV(tda)(O)(py)(2)].

  • 31. Shen, J.
    et al.
    Wang, M.
    Gao, J.
    Han, H.
    Liu, H.
    Sun, Licheng
    KTH, School of Chemical Science and Engineering (CHE), Chemistry.
    Improvement of Electrochemical Water Oxidation by Fine-Tuning the Structure of Tetradentate N4 Ligands of Molecular Copper Catalysts2017In: ChemSusChem, ISSN 1864-5631, E-ISSN 1864-564X, Vol. 10, no 22, p. 4581-4588Article in journal (Refereed)
    Abstract [en]

    Two copper complexes, [(L1)Cu(OH2)](BF4)2 [1; L1=N,N′-dimethyl-N,N′-bis(pyridin-2-ylmethyl)-1,2-diaminoethane] and [(L2)Cu(OH2)](BF4)2 [2, L2=2,7-bis(2-pyridyl)-3,6-diaza-2,6-octadiene], were prepared as molecular water oxidation catalysts. Complex 1 displayed an overpotential (η) of 1.07 V at 1 mA cm−2 and an observed rate constant (kobs) of 13.5 s−1 at η 1.0 V in pH 9.0 phosphate buffer solution, whereas 2 exhibited a significantly smaller η (0.70 V) to reach 1 mA cm−2 and a higher kobs (50.4 s−1) than 1 under identical test conditions. Additionally, 2 displayed better stability than 1 in controlled potential electrolysis experiments with a faradaic efficiency of 94 % for O2 evolution at 1.58 V, when a casing tube was used for the Pt cathode. A possible mechanism for 1- and 2-catalyzed O2 evolution reactions is discussed based on the experimental evidence. These comparative results indicate that fine-tuning the structures of tetradentate N4 ligands can bring about significant change in the performance of copper complexes for electrochemical water oxidation.

  • 32. Su, B. -L
    et al.
    Han, B.
    Liu, H.
    Sun, Licheng
    KTH, School of Engineering Sciences in Chemistry, Biotechnology and Health (CBH), Chemistry.
    Xie, Z. -K
    Editorial for the Special Issue of ChemSusChem on Green Carbon Science: CO2 Capture and Conversion2020In: ChemSusChem, ISSN 1864-5631, E-ISSN 1864-564X, Vol. 13, no 23, p. 6051-6053Article in journal (Refereed)
    Abstract [en]

    In their Editorial to the Special Issue on Green Carbon Science: CO2 Capture and Conversion, Guest Editors Bao-Lian Su, Buxing Han, Haichao Liu, Licheng Sun, and Zai-Ku Xie introduce the concept of green carbon science and discuss some of the Special Issue's contents.

  • 33.
    Sun, Licheng
    KTH, School of Chemical Science and Engineering (CHE), Chemistry, Organic Chemistry. KTH, School of Chemical Science and Engineering (CHE), Centres, Centre of Molecular Devices, CMD.
    Across the Board: Licheng Sun2015In: ChemSusChem, ISSN 1864-5631, E-ISSN 1864-564X, Vol. 8, no 1, p. 22-23Article in journal (Refereed)
    Abstract [en]

    In this series of articles the board members of ChemSusChem discuss recent research articles that they consider of exceptional quality and importance for sustainability. In this entry, Prof. Licheng Sun discusses how solar fuel production (such as water splitting) can be made more efficient and economic on an industrial scale. Recommended is the work by Prof. Xuping Sun, who use non-noble metal-phosphorus-based nanostructures as efficient electrocatalysts for hydrogen generation from water.

  • 34.
    Svärd, Michael
    et al.
    KTH, School of Engineering Sciences in Chemistry, Biotechnology and Health (CBH), Chemical Engineering, Resource recovery.
    Ma, Chunyan
    KTH, School of Engineering Sciences in Chemistry, Biotechnology and Health (CBH), Chemical Engineering, Resource recovery.
    Forsberg, Kerstin
    KTH, School of Engineering Sciences in Chemistry, Biotechnology and Health (CBH), Chemical Engineering, Resource recovery.
    Schiavi, Pier Giorgio
    Sapienza University of Rome, Chemistry, Piazzale Aldo Moro n.5 00185, Rome, ITALY.
    Addressing the Reuse of Deep Eutectic Solvents in Li‐ion Battery Recycling: Insights Into Dissolution Mechanism, Metal Recovery, Regeneration and Decomposition2024In: ChemSusChem, ISSN 1864-5631, E-ISSN 1864-564XArticle in journal (Refereed)
    Abstract [en]

    Deep eutectic solvents (DESs) have garnered attention in Li-ion battery (LIB) recycling due to their declared eco-friendly attributes and adjustable metal dissolution selectivity, offering a promising avenue for recycling processes. However, DESs currently lack competitiveness compared to mineral acids, commonly used in industrial-scale LIB recycling. Current research primarily focuses on optimizing DES formulation and experimental conditions to maximize metal dissolution yields in standalone leaching experiments. While achieving yields comparable to traditional leaching systems is important, extensive DES reuse is vital for overall recycling feasibility. To achieve this, evaluating the metal dissolution mechanism can assist in estimating DES consumption rates and assessing process makeup stream costs. The selection of appropriate metal recovery and DES regeneration strategies is essential to enable subsequent reuse over multiple cycles. Finally, decomposition of DES components should be avoided throughout the designed recycling process, as by-products can impact leaching efficiency and compromise the safety and environmental friendliness of DES. In this review, these aspects are emphasized with the aim of directing research efforts away from simply pursuing the maximization of metal dissolution efficiency, towards a broader view focusing on the application of DES beyond the laboratory scale.

  • 35.
    Tian, Haining
    et al.
    KTH, School of Chemical Science and Engineering (CHE), Chemistry, Organic Chemistry.
    Xu, Bo
    KTH, School of Chemical Science and Engineering (CHE), Chemistry, Organic Chemistry.
    Chen, Hong
    Johansson, Erik M. J.
    Boschloo, Gerrit
    Solid-State Perovskite-Sensitized p-Type Mesoporous Nickel Oxide Solar Cells2014In: ChemSusChem, ISSN 1864-5631, E-ISSN 1864-564X, Vol. 7, no 8, p. 2150-2153Article in journal (Refereed)
    Abstract [en]

    ,Perovskite has been adopted as photosensitizer to develop solid state p-type mesoporous nickel oxide (NiO) dye-sensitized solar cells (DSCs) employing PCBM as electron conductor. The optimal device achieved an efficiency of 1.5% with an impressive open circuit voltage of more than 800 mV, which is the record of solar cell based on p-type mesoporous NiO electrode. This result shows the potential for building highly efficient p-type NiO solar cells as stand-alone device.

  • 36. Wang, Lei
    et al.
    Yang, Xichuan
    Zhao, Jianghua
    Zhang, Fuguo
    Wang, Xiuna
    Sun, Licheng
    KTH, School of Chemical Science and Engineering (CHE), Chemistry, Organic Chemistry. KTH, School of Chemical Science and Engineering (CHE), Centres, Centre of Molecular Devices, CMD.
    Efficient Organic Sensitizers with Pyridine-N-oxide as an Anchor Group for Dye-Sensitized Solar Cells2014In: ChemSusChem, ISSN 1864-5631, E-ISSN 1864-564X, Vol. 7, no 9, p. 2640-2646Article in journal (Refereed)
    Abstract [en]

    Five organic dyes with pyridine-N-oxide as the anchor group and electron acceptor have been synthesized and applied in dye-sensitized solar cells (DSSCs). Benzothiadiazole was introduced in the conjugation system to increase the electron withdrawing properties, FTIR spectra showed that the coordination was between the pyridine-N-oxide and the Bronsted acid site on the TiO2 surface. The relationship between different dye structures and the performance of the DSSCs was investigated systematically. The location of the thiophene unit was studied, and the direct linkage of benzothiadiazole with pyridine-Noxide was beneficial to broaden the absorption. The donor-acceptor-acceptor-configured dye WL307, which has 2-ethylhexyloxy chains in the donor part, showed the best efficiency of 6.08% under 100 mWcm(-2) light illumination. The dye series showed a fairly good stability during the one month test period.

  • 37.
    Wu, Xiujuan
    et al.
    DUT, KTH Joint Educ & Res Ctr Mol Devices, State Key Lab Fine Chem, Dalian 116024, Peoples R China..
    Zhao, Yimeng
    DUT, KTH Joint Educ & Res Ctr Mol Devices, State Key Lab Fine Chem, Dalian 116024, Peoples R China..
    Xing, Tongyu
    DUT, KTH Joint Educ & Res Ctr Mol Devices, State Key Lab Fine Chem, Dalian 116024, Peoples R China..
    Zhang, Peili
    DUT, KTH Joint Educ & Res Ctr Mol Devices, State Key Lab Fine Chem, Dalian 116024, Peoples R China..
    Li, Fusheng
    DUT, KTH Joint Educ & Res Ctr Mol Devices, State Key Lab Fine Chem, Dalian 116024, Peoples R China..
    Lee, Husileng
    DUT, KTH Joint Educ & Res Ctr Mol Devices, State Key Lab Fine Chem, Dalian 116024, Peoples R China..
    Li, Fei
    DUT, KTH Joint Educ & Res Ctr Mol Devices, State Key Lab Fine Chem, Dalian 116024, Peoples R China..
    Sun, Licheng
    KTH, School of Chemical Science and Engineering (CHE), Centres, Centre of Molecular Devices, CMD. KTH, School of Engineering Sciences in Chemistry, Biotechnology and Health (CBH), Chemistry.
    Hierarchically Structured FeNiOxHy Electrocatalyst Formed by In Situ Transformation of Metal Phosphate for Efficient Oxygen Evolution Reaction2018In: ChemSusChem, ISSN 1864-5631, E-ISSN 1864-564X, Vol. 11, no 11, p. 1761-1767Article in journal (Refereed)
    Abstract [en]

    A simple and low-cost fabrication method is needed to obtain effective and robust heterogeneous catalysts for the oxygen evolution reaction (OER). In this study, an electrocatalyst FeNiOxHy with a hierarchical structure is synthesized on nickel foam by a simple fabrication method through anion exchange from a metal phosphate to a metal hydroxide. The as-fabricated FeNiOxHy electrode requires overpotentials of 206 and 234 mV to deliver current densities of 10 and 50 mAcm(-2), respectively. The catalytic performance of FeNiOxHy is superior to that of most previously reported FeNi-based catalysts, including NiFe layered double hydroxide. The catalyst also shows good long-term durability at a current density of 50 mA cm(-2) over 50 h with no activity decay under 1 m KOH. By comparison to the directly electrodeposited FeNi hydroxide in morphology and electrochemical properties, the improved activity of the catalyst could be mainly attributed to an enhancement of its intrinsic activity, which was caused by the anion exchange of phosphate to (oxy)hydroxide. Further studies by cyclic voltammetry indicated a stronger interaction between Ni and Fe from the negative shift of the oxidation peak of Ni2+/Ni3+ in comparison with reported FeNiOxHy, which promoted the generation of active Ni3+ species more easily. This work may provide a new approach to the simple preparation of effective and robust OER catalysts by anion exchange.

  • 38. Xiong, Dehua
    et al.
    Zhang, Wenjun
    Zeng, Xianwei
    Xu, Zhen
    Chen, Wei
    Cui, Jin
    Wang, Mingkui
    Sun, Licheng
    KTH, School of Chemical Science and Engineering (CHE), Chemistry, Organic Chemistry.
    Cheng, Yi-Bing
    Enhanced Performance of p-Type Dye-Sensitized Solar Cells Based on Ultrasmall Mg-Doped CuCrO2 Nanocrystals2013In: ChemSusChem, ISSN 1864-5631, E-ISSN 1864-564X, Vol. 6, no 8, p. 1432-1437Article in journal (Refereed)
    Abstract [en]

    Herein, we present ultrasmall delafossite-type Mg-doped CuCrO2 nanocrystals prepared by using hydrothermal synthesis and their first application as photocathodes in efficient p-type dye-sensitized solar cells. The short-circuit current density (J(sc)) is notably increased by approximately 27% owing to the decreased crystallite size and the enhanced optical transmittance associated with Mg doping of the CuCrO2 nanocrystalline sample. An open-circuit voltage (V-oc) of 201mV, J(sc) of 1.51mAcm(-2), fill factor of 0.449, and overall photoconversion efficiency of 0.132% have been achieved with the CuCr0.9Mg0.1O2 dye photocathode sensitized with the P1 dye under optimized conditions. This efficiency is nearly threetimes higher than that of the NiO-based reference device, which is attributed to the largely improved V-oc and J(sc). The augmentation of V-oc and J(sc) can be attributed to the lower valance band position and the faster hole diffusion coefficient of CuCr0.9Mg0.1O2 compared to those of the NiO reference, respectively, which leads to a higher hole collection efficiency.

  • 39.
    Xu, Bo
    et al.
    KTH, School of Chemical Science and Engineering (CHE), Chemistry.
    Huang, Jing
    KTH, School of Biotechnology (BIO), Theoretical Chemistry and Biology.
    Ågren, Hans
    KTH, School of Biotechnology (BIO), Theoretical Chemistry and Biology.
    Kloo, Lars
    KTH, School of Chemical Science and Engineering (CHE), Chemistry, Applied Physical Chemistry. KTH, School of Chemical Science and Engineering (CHE), Centres, Centre of Molecular Devices, CMD.
    Hagfeldt, Anders
    Sun, Licheng
    KTH, School of Chemical Science and Engineering (CHE), Chemistry. KTH, School of Chemical Science and Engineering (CHE), Centres, Centre of Molecular Devices, CMD.
    AgTFSI as p-Type Dopant for Efficient and Stable Solid-State Dye-Sensitized and Perovskite Solar Cells2014In: ChemSusChem, ISSN 1864-5631, E-ISSN 1864-564X, Vol. 7, no 12, p. 3252-3256Article in journal (Refereed)
    Abstract [en]

    A silver-based organic salt, silver bis(trifluoromethane-sulfonyl) imide (AgTFSI), was employed as an effective p-type dopant for the triarylamine-based organic hole-transport material Spiro-MeOTAD, which has been successfully applied in solid-state dye-sensitized solar cells (ssDSCs) and perovskite solar cells (PSCs). The power conversion efficiencies (PCEs) of AgTFSI-doped devices improved by 20%, as compared to the device based on the commonly used oxygen doping both for ssDSCs and PSCs. Moreover, the solid-state dye-sensitized devices exposed to AgTFSI as dopant showed considerably better stability than those of oxygen doped, qualifying this p-type dopant as a promising alterative for the preparation of highly efficient as well as stable ssDSCs and PSCs for the future.

  • 40.
    Xu, Bo
    et al.
    Uppsala Univ, Angstrom Lab, Dept Chem, Phys Chem, S-75120 Uppsala, Sweden..
    Wrede, Sina
    Uppsala Univ, Angstrom Lab, Dept Chem, Phys Chem, S-75120 Uppsala, Sweden..
    Curtze, Allison
    Ohio State Univ, Dept Chem & Biochem, 100 West 18th Ave, Columbus, OH 43210 USA..
    Tian, Lei
    Uppsala Univ, Angstrom Lab, Dept Chem, Phys Chem, S-75120 Uppsala, Sweden..
    Pati, Palas Baran
    Uppsala Univ, Angstrom Lab, Dept Chem, Phys Chem, S-75120 Uppsala, Sweden..
    Kloo, Lars
    KTH, School of Chemical Science and Engineering (CHE), Centres, Centre of Molecular Devices, CMD. KTH, School of Engineering Sciences in Chemistry, Biotechnology and Health (CBH), Chemistry, Applied Physical Chemistry. KTH Royal Inst Technol, Dept Chem, Appl Phys Chem, S-10044 Stockholm, Sweden..
    Wu, Yiying
    Ohio State Univ, Dept Chem & Biochem, 100 West 18th Ave, Columbus, OH 43210 USA..
    Tian, Haining
    Uppsala Univ, Angstrom Lab, Dept Chem, Phys Chem, S-75120 Uppsala, Sweden..
    An Indacenodithieno[3,2-b]thiophene-Based Organic Dye for Solid-State p-Type Dye-Sensitized Solar Cells2019In: ChemSusChem, ISSN 1864-5631, E-ISSN 1864-564X, Vol. 12, no 14, p. 3243-3248Article in journal (Refereed)
    Abstract [en]

    An indacenodithieno[3,2-b]thiophene (IDTT) unit is used as a linker moiety to design a new p-type dye-TIP-for solid-state p-type dye-sensitized solar cells. Solar cells based on the TIP dye offered an efficiency of 0.18 % with an open-circuit photovoltage of 550 mV and a short-circuit photocurrent density of 0.86 mA cm(-2), which is better than those of two reference dyes, PB6 and BH4. Charge lifetime experiments reveal that the IDTT linker-based TIP dye significantly suppresses charge recombination losses in the devices.

  • 41. Yang, Yong
    et al.
    Wang, Mei
    Xue, Liqin
    KTH, School of Biotechnology (BIO), Theoretical Chemistry and Biology.
    Zhang, Fengbo
    Chen, Lin
    Ahlquist, Mårten S. G.
    KTH, School of Biotechnology (BIO), Theoretical Chemistry and Biology.
    Sun, Licheng
    KTH, School of Chemical Science and Engineering (CHE), Chemistry, Organic Chemistry. State Key Laboratory of Fine Chemicals, DUT-KTH Education and Research Centre on Molecular Devices, Dalian University of Technology (DUT), China.
    Nickel Complex with Internal Bases as Efficient Molecular Catalyst for Photochemical H-2 Production2014In: ChemSusChem, ISSN 1864-5631, E-ISSN 1864-564X, Vol. 7, no 10, p. 2889-2897Article in journal (Refereed)
    Abstract [en]

    A Ni complex with internal bases that contain bipyridine-derived ligands, [Ni(L)(2)(H2O)(2)](BF4)(2) ([1](BF4)(2), L=2-(2-pyridyl)-1,8-naphthyridine), and a reference complex that bears analogous bipyridine-derived ligands but without an internal base, [Ni(L)(3)](BF4)(2) ([2](BF4)(2), L=2-(2-pyridyl)quinoline), were synthesized and characterized. The electrochemical properties of these complexes were studied in CH3CN, H2O, and a mixture of EtOH/H2O. The fluorescence spectroscopic studies suggest that both dynamic and the sphere-of-action static quenching exist in the fluorescein Fl(2-)/[1](2+) and Fl(2-)/[2](2+) systems. These noble-metal-free molecular systems were studied for photocatalytic H-2 generation. Under optimal conditions, the turnover number of H-2 evolution reaches 3230 based on [1](2+), whereas [2](2+) displays only approximately one third of the turnover of [1](2+). A plausible mechanism for the catalytic H-2 generation by [1](2+) is presented based on DFT calculations.

  • 42.
    Zhang, Biaobiao
    et al.
    KTH, School of Engineering Sciences in Chemistry, Biotechnology and Health (CBH), Chemistry.
    Li, Yuanyuan
    KTH, School of Engineering Sciences in Chemistry, Biotechnology and Health (CBH), Fibre- and Polymer Technology.
    Valvo, M.
    Fan, Lizhou
    KTH, School of Engineering Sciences in Chemistry, Biotechnology and Health (CBH), Chemistry.
    Daniel, Quentin
    KTH, School of Engineering Sciences in Chemistry, Biotechnology and Health (CBH), Chemistry.
    Zhang, Peili
    KTH, School of Engineering Sciences in Chemistry, Biotechnology and Health (CBH), Chemistry.
    Wang, Linqin
    KTH, School of Engineering Sciences in Chemistry, Biotechnology and Health (CBH), Chemistry.
    Sun, Licheng
    KTH, School of Engineering Sciences in Chemistry, Biotechnology and Health (CBH), Chemistry.
    Electrocatalytic Water Oxidation Promoted by 3 D Nanoarchitectured Turbostratic Δ-MnOx on Carbon Nanotubes2017In: ChemSusChem, ISSN 1864-5631, E-ISSN 1864-564X, Vol. 10, no 22, p. 4472-4478Article in journal (Refereed)
    Abstract [en]

    The development of manganese-based water oxidation electrocatalysts is desirable for the production of solar fuels, as manganese is earth-abundant, inexpensive, non-toxic, and has been employed by the Photosystem II in nature for a billion years. Herein, we directly constructed a 3 D nanoarchitectured turbostratic δ-MnOx on carbon nanotube-modified nickel foam (MnOx/CNT/NF) by electrodeposition and a subsequent annealing process. The MnOx/CNT/NF electrode gives a benchmark catalytic current density (10 mA cm−2) at an overpotential (η) of 270 mV under alkaline conditions. A steady current density of 19 mA cm−2 is obtained during electrolysis at 1.53 V for 1.0 h. To the best of our knowledge, this work represents the most efficient manganese-oxide-based water oxidation electrode and demonstrates that manganese oxides, as a structural and functional model of oxygen-evolving complex (OEC) in Photosystem II, can also become comparable to those of most Ni- and Co-based catalysts.

  • 43.
    Zhang, Biaobiao
    et al.
    KTH, School of Engineering Sciences in Chemistry, Biotechnology and Health (CBH), Chemistry.
    Sun, Licheng
    KTH, School of Chemical Science and Engineering (CHE), Centres, Centre of Molecular Devices, CMD. KTH, School of Engineering Sciences in Chemistry, Biotechnology and Health (CBH), Chemistry, Organic chemistry. Dalian Univ Technol.
    Across the Board: Licheng Sun on the Mechanism of O-O Bond Formation in Photosystem II2019In: ChemSusChem, ISSN 1864-5631, E-ISSN 1864-564X, Vol. 12, no 14, p. 3401-3404Article in journal (Refereed)
    Abstract [en]

    In this series of articles, the board members of ChemSusChem discuss recent research articles that they consider of exceptional quality and importance for sustainability. This entry features Prof. L. Sun, who proposes a special mechanism for O-O bond formation in photosystem II with involvement of an Mn-VII-oxo species induced by charge- and structural rearrangements. In this viewpoint, Proton transfer is involved in changes of the first coordination spheres around the Mn-VII-oxo site on the dangling Mn4 with de- and re-coordination of carboxylates (Glu333 and Asp170).

  • 44. Zhang, Linlin
    et al.
    Gao, Yan
    Ding, Xin
    Yu, Ze
    Sun, Licheng
    KTH, School of Biotechnology (BIO), Theoretical Chemistry and Biology. State Key Laboratory of Fine Chemicals, Institute of Artificial Photosynthesis, DUT-KTH Joint Education and Research Center on Molecular Devices, Dalian University of Technology (DUT), China.
    High-Performance Photoelectrochemical Cells Based on a Binuclear Ruthenium Catalyst for Visible-Light-Driven Water Oxidation2014In: ChemSusChem, ISSN 1864-5631, E-ISSN 1864-564X, Vol. 7, no 10, p. 2801-2804Article in journal (Refereed)
    Abstract [en]

    Two photoanodes based on a binuclear (2) and a mononuclear ruthenium (3) water oxidation catalysts were assembled in combination with a molecular photosensitizer (1) by using a co-adsorption method. The anodes were used in dye-sensitized photoelectrochemical cells (DS-PECs) for visible-light-driven water splitting. A DS-PEC device using TiO2(1+2) as working electrode (WE) exhibits better performance than TiO2(1+3) as WE in light-driven water splitting. Detailed photoelectrochemical studies on these DS-PEC devices are discussed.

  • 45. Zhang, P.
    et al.
    Song, T.
    Zheng, D.
    Li, F.
    Wu, X.
    Fan, K.
    Sun, Licheng
    KTH, School of Engineering Sciences in Chemistry, Biotechnology and Health (CBH), Chemistry, Organic chemistry. State Key Laboratory of Fine Chemicals, Institute of Artificial Photosynthesis, DUT-KTH Joint Education and Research Centre on Molecular Devices, Institute for Energy Science and Technology, Dalian University of Technology, Dalian, P. R. China Center of Artificial Photosynthesis for Solar Fuels, School of Science, Westlake University, Hangzhou, 310024 P. R. China.
    NiIII-rich NiFeBa as an Efficient Catalyst for Water Oxidation2021In: ChemSusChem, ISSN 1864-5631, E-ISSN 1864-564X, Vol. 14, no 12, p. 2516-2520Article in journal (Refereed)
    Abstract [en]

    Electrocatalytic water oxidation requires efficient catalysts to reduce the overpotential and accelerate the sluggish kinetics of oxygen formation. Here, a promising NiFeBa material was prepared by the co-electrodeposition of Ba2+, Ni2+, and Fe3+ as an efficient catalyst for electrocatalytic water oxidation. NiFeBa showed enhanced water oxidation performance compared with NiFe layered double hydroxide and NiFe oxide, delivering a current density of 10 mA cm−2 at an overpotential of 180 mV. Doped Ba ions played a key role in stabilizing the electrogenerated Ni3+ species, producing more octahedral Ni−O structures for lattice oxygen-based water oxidation, adjusting the catalytic mechanism, and finally leading to an enhancement of catalytic efficiency. 

  • 46.
    Zhao, Yadong
    et al.
    KTH, School of Engineering Sciences in Chemistry, Biotechnology and Health (CBH), Fibre- and Polymer Technology.
    Moser, Carl
    KTH, School of Engineering Sciences in Chemistry, Biotechnology and Health (CBH), Fibre- and Polymer Technology.
    Henriksson, Gunnar
    KTH, School of Engineering Sciences in Chemistry, Biotechnology and Health (CBH), Fibre- and Polymer Technology.
    Transparent Composites Made from Tunicate Cellulose Membranes and Environmentally Friendly Polyester2018In: ChemSusChem, ISSN 1864-5631, E-ISSN 1864-564X, Vol. 11, no 10, p. 1728-1735Article in journal (Refereed)
    Abstract [en]

    A series of optically transparent composites were made by using tunicate cellulose membranes, in which the naturally organized cellulose microfibrillar network structure of tunicate tunics was preserved and used as the template and a solution of glycerol and citric acid at different molar ratios was used as the matrix. Polymerization through ester bond formation occurred at elevated temperatures without any catalyst, and water was released as the only byproduct. The obtained composites had a uniform and dense structure. Thus, the produced glycerol citrate polyester improved the transparency of the tunicate cellulose membrane while the cellulose membrane provided rigidity and strength to the prepared composite. The interaction between cellulose and polyester afforded the composites high thermal stability. Additionally, the composites were optically transparent and their shape, strength, and flexibility were adjustable by varying the formulation and reaction conditions. These composites of cellulose, glycerol, and citric acid are renewable and biocompatible and have many potential applications as structural materials in packaging, flexible displays, and solar cells.

  • 47. Zhou, Xu
    et al.
    Li, Fei
    Li, Hua
    Zhang, Biaobiao
    Yu, Fengshou
    Sun, Licheng
    KTH, School of Chemical Science and Engineering (CHE), Chemistry, Organic Chemistry.
    Photocatalytic Water Oxidation by Molecular Assemblies Based on Cobalt Catalysts2014In: ChemSusChem, ISSN 1864-5631, E-ISSN 1864-564X, Vol. 7, no 9, p. 2453-2456Article in journal (Refereed)
    Abstract [en]

    Chromophore-catalyst molecular assemblies towards visible light-driven water oxidation were synthesized by covalent integration of a light-harvesting complex [Ru(bpy)(3)](2+) (bpy= 2,2'-bipyridine) and a Co4O4 cubane water oxidation catalyst. The two components were assembled either in linear or macrocyclic configurations. In the presence of the sacrificial reagent, the Ru-Co metallocycle exhibits remarkable photocatalytic activity for oxygen evolution, which is one order of magnitude higher than that of a multicomponent system and exceeds that of a linear assembly by a factor of five, offering access to highly active photocatalyst through molecular design.

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