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Elson, F., Kenji Forslund, O., Palm, R., Alshemi, A., Abdel-Hafiez, M., Simutis, G., . . . Månsson, M. (2025). Hallmark features of conventional BCS superconductivity in 2H-TaS2. Scientific Reports, 15(1), Article ID 37164.
Öppna denna publikation i ny flik eller fönster >>Hallmark features of conventional BCS superconductivity in 2H-TaS2
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2025 (Engelska)Ingår i: Scientific Reports, E-ISSN 2045-2322, Vol. 15, nr 1, artikel-id 37164Artikel i tidskrift (Refereegranskat) Published
Abstract [en]

Layered transition metal dichalcogenides (TMDs) are model systems to investigate the interplay between superconductivity and the charge density wave (CDW) order. Here, we use muon spin rotation and relaxation (mu+SR) to probe the superconducting ground state of polycrystalline 2H-TaS2, which hosts a CDW transition at 76 K and superconductivity below 1 K. The mu+SR measurements, conducted down to 0.27 K, are consistent with a nodeless, BCS-like single-gap s-wave state. Fits to the temperature dependence of the depolarization rate and Knight shift measurements support spin-singlet pairing. Crucially, no evidence of time-reversal symmetry breaking (TRSB) is observed, distinguishing 2H-TaS2 from polymorphs like 4Hb-TaS2, where TRSB and unconventional superconductivity have been reported. These findings establish 2H-TaS2 as a canonical BCS superconductor and provide a reference point for understanding the diverse electronic ground states that emerge in structurally distinct TMD polymorphs.

Ort, förlag, år, upplaga, sidor
Springer Nature, 2025
Nyckelord
Van der Waals, Superconductivity, Muon spin rotation mu+SR
Nationell ämneskategori
Den kondenserade materiens fysik
Identifikatorer
urn:nbn:se:kth:diva-375065 (URN)10.1038/s41598-025-24342-8 (DOI)001600529500005 ()41131324 (PubMedID)2-s2.0-105019493598 (Scopus ID)
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QC 20260114

Tillgänglig från: 2026-01-14 Skapad: 2026-01-14 Senast uppdaterad: 2026-01-14Bibliografiskt granskad
Forslund, O. K., Palm, R., Nocerino, E., Umegaki, I., Zubayer, A., Koda, A., . . . Månsson, M. (2025). Phonon assisted ion diffusion in electrochemically cycled NaxCoO2. Materials Today Energy, 54, Article ID 102072.
Öppna denna publikation i ny flik eller fönster >>Phonon assisted ion diffusion in electrochemically cycled NaxCoO2
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2025 (Engelska)Ingår i: Materials Today Energy, ISSN 2468-6069, Vol. 54, artikel-id 102072Artikel i tidskrift (Refereegranskat) Published
Abstract [en]

Understanding ion diffusion mechanisms in layered materials is critical for advancing next-generation battery technologies. Using the well-characterized NaxCoO2 (NCO) system as a model platform, we investigated the temperature-dependent diffusion properties across a broad compositional range (x=0.33−0.89) using muon spin relaxation (μ+SR). Unexpected low-temperature internal magnetic field fluctuations were observed, systematically varying with Na content and appearing well before the onset of long-range diffusion. These fluctuations are attributed to phonon-assisted local Na motion, as suggested by a systematic increase in A with x, concurrent with a decreasing activation energy. The diffusion coefficient was calculated based on the crystal structure using a tailored diffusion model accounting for two inequivalent Na sites, yielding values consistent with those found in other layered battery materials. This work highlights the crucial role of phonon-coupled diffusion mechanisms in enabling ion transport at the microscopic scale, providing new insights into ion dynamics in layered solid-state conductors and their relevance to sodium-ion battery technology.

Ort, förlag, år, upplaga, sidor
Elsevier BV, 2025
Nyckelord
Ion diffusion, Muon spin relaxation, NaCoO2, Phonons
Nationell ämneskategori
Den kondenserade materiens fysik Fysikalisk kemi
Identifikatorer
urn:nbn:se:kth:diva-372461 (URN)10.1016/j.mtener.2025.102072 (DOI)001604591800001 ()2-s2.0-105019322693 (Scopus ID)
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Not duplicate with DiVA 1614499

QC 20251107

Tillgänglig från: 2025-11-07 Skapad: 2025-11-07 Senast uppdaterad: 2026-05-29Bibliografiskt granskad
Tatara, R., Igarashi, D., Nakayama, M., Hosaka, T., Ohishi, K., Umegaki, I., . . . Komaba, S. (2025). Revisiting the ion dynamics in LixCoO2 and NaxCoO2. Chemical Science, 16(42), 19990-20001
Öppna denna publikation i ny flik eller fönster >>Revisiting the ion dynamics in LixCoO2 and NaxCoO2
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2025 (Engelska)Ingår i: Chemical Science, ISSN 2041-6520, E-ISSN 2041-6539, Vol. 16, nr 42, s. 19990-20001Artikel i tidskrift (Refereegranskat) Published
Abstract [en]

Layered oxides (AMO2, where A = Li or Na and M = transition metal) are essential positive electrode materials for lithium- and sodium-ion batteries. A fundamental question in ion transport is whether Li+ or Na+ diffuses faster in these materials; however, distinguishing intrinsic diffusion properties from the effects of particle size and electrode composition is challenging. Using operando muon spin spectroscopy and molecular dynamics simulations, we determined the Li+ and Na+ self-diffusion coefficients in O3-LixCoO2, O3-NaxCoO2, and P2-NaxCoO2. Our findings revealed that Na+ diffusion is higher in the P2-type structure than in the O3-type structure primarily due to weaker electrostatic interactions. In the O3-type structure, Li+ diffuses faster than Na+, whose larger ionic size hinders mobility. These insights clarify the ion transport mechanisms and advance the design of next-generation battery materials. 

Ort, förlag, år, upplaga, sidor
Royal Society of Chemistry (RSC), 2025
Nationell ämneskategori
Den kondenserade materiens fysik
Identifikatorer
urn:nbn:se:kth:diva-374723 (URN)10.1039/d5sc03394b (DOI)001583540700001 ()41036071 (PubMedID)2-s2.0-105017443587 (Scopus ID)
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QC 20260108

Tillgänglig från: 2026-01-08 Skapad: 2026-01-08 Senast uppdaterad: 2026-01-08Bibliografiskt granskad
Koppel, M., Palm, R., Härmas, R., Telling, M., Le, M. D., Guidi, T., . . . Lust, E. (2024). Disentangling the self-diffusional dynamics of H<inf>2</inf> adsorbed in micro- and mesoporous carbide-derived carbon by wide temporal range quasi-elastic neutron scattering. Carbon, 219, Article ID 118799.
Öppna denna publikation i ny flik eller fönster >>Disentangling the self-diffusional dynamics of H<inf>2</inf> adsorbed in micro- and mesoporous carbide-derived carbon by wide temporal range quasi-elastic neutron scattering
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2024 (Engelska)Ingår i: Carbon, ISSN 0008-6223, E-ISSN 1873-3891, Vol. 219, artikel-id 118799Artikel i tidskrift (Refereegranskat) Published
Abstract [en]

Understanding the processes guiding the confinement of adsorbed H2 in different porous structures is vital for the development of adsorbents for effective cryo-adsorptive H2 storage systems. Quasi-elastic neutron scattering (QENS) is applied over a wide range of timescales (0.2 ps – 150 ps) to determine different self-diffusion mechanisms of H2 adsorbed in a carbide (synthesized from TiC via the sol-gel method) derived carbon (sol-gel TiC-CDC) adsorbent with hierarchical porous structure. The bulk and porous structure is characterized by gas adsorption, Raman spectroscopy, and wide-angle X-ray scattering methods. Sol-gel TiC-CDC belongs to a series of CDCs that have been previously characterized and where the self-diffusion of adsorbed H2 has been investigated with QENS. Sol-gel TiC-CDC is very mesoporous, has relatively high stacking (2.76 graphenic layers per stack), and small interlayer spacing of graphenic sheets (3.43 Å) in comparison to other CDCs in the series, thus, being a well-ordered highly porous CDC. Restricted rotational self-diffusion of adsorbed H2 is determined in ultramicropores (pore width, w, < 7 Å) and translationally self-diffusing H2 adsorbed in multilayers across multiple timescales are determined in micro- and mesopores (7 Å < w < 500 Å). The microporous and graphenic structure of the CDC does not remarkably affect the self-diffusion of H2 at high surface coverages. The simultaneous determination of adsorbed H2 motions across different timescales allows to analyze the influence of micro- and mesopores under H2 loading conditions, which are close to the ones used in technical applications and are vital for adsorbent optimization.

Ort, förlag, år, upplaga, sidor
Elsevier BV, 2024
Nyckelord
Carbide-derived carbon, H adsorption 2, H self-diffusion 2, Quasi-elastic neutron scattering, Ultramicroporous confinement
Nationell ämneskategori
Fysikalisk kemi
Identifikatorer
urn:nbn:se:kth:diva-342633 (URN)10.1016/j.carbon.2024.118799 (DOI)001157438500001 ()2-s2.0-85182279915 (Scopus ID)
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QC 20240130

Tillgänglig från: 2024-01-25 Skapad: 2024-01-25 Senast uppdaterad: 2025-07-15Bibliografiskt granskad
Bulgarin, H., Thomberg, T., Lust, A., Nerut, J., Koppel, M., Romann, T., . . . Lust, E. (2024). Enhanced and copper concentration dependent virucidal effect against SARS-CoV-2 of electrospun poly(vinylidene difluoride) filter materials. iScience, 27(6), Article ID 109835.
Öppna denna publikation i ny flik eller fönster >>Enhanced and copper concentration dependent virucidal effect against SARS-CoV-2 of electrospun poly(vinylidene difluoride) filter materials
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2024 (Engelska)Ingår i: iScience, E-ISSN 2589-0042, Vol. 27, nr 6, artikel-id 109835Artikel i tidskrift (Refereegranskat) Published
Abstract [en]

Virucidal filter materials were prepared by electrospinning a solution of 28 wt % poly(vinylidene difluoride) in N,N-dimethylacetamide without and with the addition of 0.25 wt %, 0.75 wt %, 2.0 wt %, or 3.5 wt % Cu(NO3)2 · 2.5H2O as virucidal agent. The fabricated materials had a uniform and defect free fibrous structure and even distribution of copper nanoclusters. X-ray diffraction analysis showed that during the electrospinning process, Cu(NO3)2 · 2.5H2O changed into Cu2(NO3)(OH)3. Electrospun filter materials obtained by electrospinning were essentially macroporous. Smaller pores of copper nanoclusters containing materials resulted in higher particle filtration than those without copper nanoclusters. Electrospun filter material fabricated with the addition of 2.0 wt % and 3.5 wt % of Cu(NO3)2 · 2.5H2O in a spinning solution showed significant virucidal activity, and there was 2.5 ± 0.35 and 3.2 ± 0.30 logarithmic reduction in the concentration of infectious SARS-CoV-2 within 12 h, respectively. The electrospun filter materials were stable as they retained virucidal activity for three months.

Ort, förlag, år, upplaga, sidor
Elsevier BV, 2024
Nyckelord
engineering, materials science
Nationell ämneskategori
Kemi
Identifikatorer
urn:nbn:se:kth:diva-346829 (URN)10.1016/j.isci.2024.109835 (DOI)001243329400001 ()38799576 (PubMedID)2-s2.0-85192737263 (Scopus ID)
Anmärkning

QC 20240626

Tillgänglig från: 2024-05-24 Skapad: 2024-05-24 Senast uppdaterad: 2025-07-15Bibliografiskt granskad
Cayme, J.-M. C., Palm, R., Somelar, P., Vahur, S., Leito, I. & Oras, E. (2024). Influence of mineral composition and firing temperature on the micro- and mesoporosity of replicate archaeological ceramics. Clays and clay minerals, 72, Article ID e13.
Öppna denna publikation i ny flik eller fönster >>Influence of mineral composition and firing temperature on the micro- and mesoporosity of replicate archaeological ceramics
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2024 (Engelska)Ingår i: Clays and clay minerals, ISSN 0009-8604, E-ISSN 1552-8367, Vol. 72, artikel-id e13Artikel i tidskrift (Refereegranskat) Published
Abstract [en]

The role of micro- and mesopores of archaeological ceramics in preserving ancient biomolecules is not well established. To understand the formation of these nano-sized pores in ceramics, reference pottery briquettes were made using two different clay types (illitic and kaolinitic clays), two different tempers (sand and chalk), and two different firing temperatures (600 and 800 degrees C). The mineral content of the briquettes was determined by quantitative X-ray diffraction, and the micro- and mesopores were characterized with the N-2 adsorption method. The Brunauer-Emmett-Teller method, the adsorbed volume near liquefaction, and application of non-local density functional theory (NLDFT) were used on the N-2 adsorption data to determine specific surface areas, specific pore volumes, and pore-size distributions. Values of the micro- and mesoporosity parameters of most of the briquettes were approximately proportional to the initial clay content and unrelated to temper; the proportionality factors were much larger for illitic clay than for kaolinitic clay. When chalk-tempered briquettes were fired at the higher firing temperature of 800 degrees C, the parameters were no longer proportional to the initial clay content; they decreased in most briquettes formed of illitic clay due to reaction of the clay with lime, and they increased in briquettes formed of kaolinitic clay due mostly to the porosity of unreacted lime. Micropore volumes in briquettes formed mostly of illitic clay were substantial: of the order of 5 mm(3) g(-1). The work presented here forms a basis for future studies to establish a plausible mechanism of organic residue absorption and preservation in ancient ceramics.

Ort, förlag, år, upplaga, sidor
Cambridge University Press (CUP), 2024
Nyckelord
clay, ceramics, porosity, N-2 adsorption, X-ray diffraction
Nationell ämneskategori
Geoteknik och teknisk geologi
Identifikatorer
urn:nbn:se:kth:diva-354554 (URN)10.1017/cmn.2024.18 (DOI)001319999900001 ()2-s2.0-105003323008 (Scopus ID)
Anmärkning

QC 20241008

Tillgänglig från: 2024-10-08 Skapad: 2024-10-08 Senast uppdaterad: 2025-07-15Bibliografiskt granskad
Umegaki, I., Moriyama, K., Yoshinaga, K., Ohishi, K., Elson, F., Miniotaite, U., . . . Sugiyama, J. (2024). Magnetic phase diagram of Eu 1- x Ca x Co 2 P 2 determined using muon spin rotation and relaxation. Physical Review B, 109(14), Article ID 144408.
Öppna denna publikation i ny flik eller fönster >>Magnetic phase diagram of Eu 1- x Ca x Co 2 P 2 determined using muon spin rotation and relaxation
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2024 (Engelska)Ingår i: Physical Review B, ISSN 2469-9950, E-ISSN 2469-9969, Vol. 109, nr 14, artikel-id 144408Artikel i tidskrift (Refereegranskat) Published
Abstract [en]

The present study investigated the magnetic nature of a solid solution system consisting of EuCo2P2 and CaCo2P2 using a muon spin rotation and relaxation (mu +SR) technique, which is sensitive to local magnetic environments. The former compound EuCo2P2 is known to enter an incommensurate helical antiferromagnetic (AF) phase below 66 K with neutrons, which was confirmed by the present mu +SR. The magnitude of the ordered Eu moments proposed with neutrons was found to be consistent with that estimated by mu +SR. Furthermore, the latter lattice-collapsed tetragonal phase compound CaCo2P2 is known to enter an A-type AF phase below 90 K, and mu +SR measurements on single crystals revealed the presence of a spin reorientation transition at around 40 K, below which the A-type AF order is likely to be completed. Although all Eu1-xCaxCo2P2 compounds were found to enter a magnetic phase at low temperatures regardless of x, a static ordered state was formed only at the vicinity of the two end compounds, i.e., 0 x 0.4 and 0.9 x 1. Instead, a disordered state, i.e., a random spin-glass state, short-range ordered state, or highly fluctuating state was found in the x range between 0.4 and 0.9, even at the lowest measured temperature (2 K). Together with the magnetization data, our findings clarified the magnetic phase diagram of Eu1-xCaxCo2P2, where a ferromagnetic exchange interaction between Co ions through the Eu2+ ion competes with a direct AF interaction among the Co ions, particularly in the x range between 0.57 and 0.9. This competition yielded multiple phases in Eu1-xCaxCo2P2.

Ort, förlag, år, upplaga, sidor
American Physical Society (APS), 2024
Nationell ämneskategori
Den kondenserade materiens fysik
Identifikatorer
urn:nbn:se:kth:diva-348107 (URN)10.1103/PhysRevB.109.144408 (DOI)001235369800002 ()2-s2.0-85190343911 (Scopus ID)
Anmärkning

QC 20240619

Tillgänglig från: 2024-06-19 Skapad: 2024-06-19 Senast uppdaterad: 2025-07-15Bibliografiskt granskad
Ers, H., Pikma, P., Palm, R., Paalo, M., Jänes, A., Thomberg, T., . . . Lust, E. (2024). Teaching electrochemistry and student participation in the development of sustainable electricity generation/storage devices at the Institute of Chemistry of the University of Tartu. Journal of Solid State Electrochemistry, 28(3-4), 847-867
Öppna denna publikation i ny flik eller fönster >>Teaching electrochemistry and student participation in the development of sustainable electricity generation/storage devices at the Institute of Chemistry of the University of Tartu
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2024 (Engelska)Ingår i: Journal of Solid State Electrochemistry, ISSN 1432-8488, E-ISSN 1433-0768, Vol. 28, nr 3-4, s. 847-867Artikel, forskningsöversikt (Refereegranskat) Published
Abstract [en]

Research-based education is a long-standing tradition at the University of Tartu (UT). Basic knowledge of electrochemistry and the principles of developing electrochemical devices have been taught and implemented at UT since 1960. For instance, during then, self-made alkaline electrolysers were used to generate hydrogen. The hydrogen was further purified and used to saturate aqueous and non-aqueous electrolytes. The fundamental electrochemical research has formed a solid background on which the development of supercapacitors and Na<sup>+</sup>-ion or Li<sup>+</sup>-ion batteries is based today. Since 1991, the Ph.D., MSc and undergraduate students have investigated the properties of high surface–area carbon materials in non-aqueous electrolytes to develop energy conversion and storage devices with high energy and power density. Moreover, porous thin-film complex metal hydride–based hydrogen storage devices are also under study. The research of solid oxide fuel cells (SOFC) and polymer electrolyte membrane fuel cells (PEMFC) began at the UT in 2001 and 2010, respectively. Based on the collected knowledge, a sustainable green electricity and hydrogen generation-storage complex (GEHGSC) was constructed, consisting of solar cells and fuel cells for electricity generation, batteries for storage and electrolysers for hydrogen generation. The main aim of GEHGSC is to educate students, young scientists and local authorities specialized in sustainable energy technologies and applied electrochemistry. Electrolyzed hydrogen has been used for experimental testing of SOFC and PEMFC, produced at the Institute of Chemistry. The 300 bar hydrogen compressor has been installed, and thereafter, the PEMFC-powered self-driving car Iseauto, completed by contract for Auve Tech OÜ, has been fuelled with hydrogen produced by GEHGSC.

Ort, förlag, år, upplaga, sidor
Springer Nature, 2024
Nationell ämneskategori
Energiteknik
Identifikatorer
urn:nbn:se:kth:diva-367116 (URN)10.1007/s10008-023-05667-8 (DOI)001070603800001 ()2-s2.0-85172016908 (Scopus ID)
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QC 20250715

Tillgänglig från: 2025-07-15 Skapad: 2025-07-15 Senast uppdaterad: 2025-07-15Bibliografiskt granskad
Teppor, P., Jager, R., Koppel, M., Volobujeva, O., Palm, R., Månsson, M., . . . Lust, E. (2024). Unlocking the porosity of Fe-N-C catalysts using hydroxyapatite as a hard template en route to eco-friendly high-performance AEMFCs. Journal of Power Sources, 591, Article ID 233816.
Öppna denna publikation i ny flik eller fönster >>Unlocking the porosity of Fe-N-C catalysts using hydroxyapatite as a hard template en route to eco-friendly high-performance AEMFCs
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2024 (Engelska)Ingår i: Journal of Power Sources, ISSN 0378-7753, E-ISSN 1873-2755, Vol. 591, artikel-id 233816Artikel i tidskrift (Refereegranskat) Published
Abstract [en]

In this work, we propose hydroxyapatite (HA) as a hard template to unlock the porosity of Fe-N-C catalyst materials. Using HA, a naturally occurring mineral that can be removed with nitric acid, in the synthesis generates a catalyst material with a unique porous network comprising abundant pores and interparticle cavities ranging from 10 to 3000 nm. Hard templating with HA alongside ZnCl2 as a micropore former results in a Fe-N-C catalyst based on naturally abundant peat with excellent oxygen reduction activity in alkaline conditions. A half -wave potential of 0.87 V vs RHE and a peak power density of 1.06 W cm-2 were achieved in rotating ring disk electrode and anion exchange membrane fuel cell experiments, respectively, rivaling the performance of other state-of-the-art platinum-free catalysts presented in the literature. A combined approach of using renewable peat as a carbon source and HA as a hard template offers an environmentally friendly approach to high-performance Fe-N-C catalysts with abundant porosity.

Ort, förlag, år, upplaga, sidor
Elsevier BV, 2024
Nyckelord
Fe -N -C, AEMFC, Oxygen reduction reaction, Hard template, Hydroxyapatite
Nationell ämneskategori
Annan kemiteknik
Identifikatorer
urn:nbn:se:kth:diva-342062 (URN)10.1016/j.jpowsour.2023.233816 (DOI)001125266200001 ()2-s2.0-85177893407 (Scopus ID)
Anmärkning

QC 20240110

Tillgänglig från: 2024-01-10 Skapad: 2024-01-10 Senast uppdaterad: 2025-07-15Bibliografiskt granskad
Ramah, P., Palm, R., Tuul, K., Aruväli, J., Månsson, M. & Lust, E. (2023). Confinement of LiAlH4 in a Mesoporous Carbon Black for Improved Near-Ambient Release of H2. Reactions, 4(4), 635-646
Öppna denna publikation i ny flik eller fönster >>Confinement of LiAlH4 in a Mesoporous Carbon Black for Improved Near-Ambient Release of H2
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2023 (Engelska)Ingår i: Reactions, E-ISSN 2624-781X, Vol. 4, nr 4, s. 635-646Artikel i tidskrift (Refereegranskat) Published
Abstract [en]

LiAlH4 is a potential solid-state H2 storage material, where safe and efficient H2 storage is of critical importance for the transition towards a sustainable emission-free economy. To improve the H2 release and storage properties of LiAlH4, confinement in porous media decreases the temperature of H2 release and improves the kinetics, where considerably improved H2 release properties are accompanied by a loss in the total amount of H2 released. The capability of mesoporous carbon black to improve the H2 storage properties of confined LiAlH4 is investigated with temperature-programmed desorption and time-stability measurements using X-ray diffraction and N2 gas adsorption measurements to characterize the composite materials’ composition and structure. Here, we present the capability of commercial carbon black to effectively lower the onset temperature of H2 release to that of near-ambient, ≥295 K. In addition, the confinement in mesoporous carbon black destabilized LiAlH4 to a degree that during ≤14 days in storage, under Ar atmosphere and at ambient temperature, 40% of the theoretically contained H2 was lost due to decomposition. Thus, we present the possibility of destabilizing LiAlH4 to a very high degree and, thus, avoiding the melting step before H2 release at around 440 K using scaffold materials with fine-tuned porosities.

Ort, förlag, år, upplaga, sidor
MDPI AG, 2023
Nyckelord
complex metal hydride, H storage 2, LiAlH 4, N adsorption 2, nanoconfinement, temperature-programmed desorption, time-stability, X-ray diffraction
Nationell ämneskategori
Materialkemi
Identifikatorer
urn:nbn:se:kth:diva-342143 (URN)10.3390/reactions4040035 (DOI)001132001500001 ()2-s2.0-85180689699 (Scopus ID)
Anmärkning

QC 20240115

Tillgänglig från: 2024-01-15 Skapad: 2024-01-15 Senast uppdaterad: 2025-07-15Bibliografiskt granskad
Organisationer
Identifikatorer
ORCID-id: ORCID iD iconorcid.org/0000-0002-1129-9234

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