Comparative analysis of ternary TiAlNb interatomic potentials: moment tensor vs. deep learning approaches

Autor: Anju Chandran, Archa Santhosh, Claudio Pistidda, Paul Jerabek, Roland C. Aydin, Christian J. Cyron

Publikováno v: Frontiers in Materials, Vol 11 (2024)

Intermetallic titanium aluminides, leveraging the ordered γ-TiAl phase, attract increasing attention in aerospace and automotive engineering due to their favorable mechanical properties at high temperatures. Of particular interest are γ-TiAl-based

Externí odkaz: https://doaj.org/article/9a26b233e8a7465482755a2cf926b92c

Relativistic Effects Stabilize Unusual Gold(II) Sulfate Structure via Aurophilic Interactions

Autor: Paul Jerabek, Archa Santhosh, Peter Schwerdtfeger

Publikováno v: Inorganic Chemistry. 61:13077-13084

The crystal structure of gold(II) sulfate is strikingly different from other coinage metal(II) sulfates. Central to the unsual AuSO

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::15e164667757c535a534aade04de003c
https://doi.org/10.1021/acs.inorgchem.2c01512

Influence of near-surface oxide layers on TiFe hydrogenation: mechanistic insights and implications for hydrogen storage applications

Autor: Archa Santhosh, ShinYoung Kang, Nathan Keilbart, Brandon C. Wood, Thomas Klassen, Paul Jerabek, Martin Dornheim

The inevitable formation of passivating oxide films on the surface of the TiFe intermetallic compound limits its performance as a stationary hydrogen storage material. Extensive experimental efforts have been dedicated to the activation of TiFe, i.e.

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_________::cb511257373596213d6f9291cc42ddb9
https://doi.org/10.26434/chemrxiv-2023-7zhj3

Magnesium- and intermetallic alloys-based hydrides for energy storage: modelling, synthesis and properties

Autor: Luca Pasquini, Kouji Sakaki, Etsuo Akiba, Mark D Allendorf, Ebert Alvares, Josè R Ares, Dotan Babai, Marcello Baricco, Josè Bellosta von Colbe, Matvey Bereznitsky, Craig E Buckley, Young Whan Cho, Fermin Cuevas, Patricia de Rango, Erika Michela Dematteis, Roman V Denys, Martin Dornheim, J F Fernández, Arif Hariyadi, Bjørn C Hauback, Tae Wook Heo, Michael Hirscher, Terry D Humphries, Jacques Huot, Isaac Jacob, Torben R Jensen, Paul Jerabek, Shin Young Kang, Nathan Keilbart, Hyunjeong Kim, Michel Latroche, F Leardini, Haiwen Li, Sanliang Ling, Mykhaylo V Lototskyy, Ryan Mullen, Shin-ichi Orimo, Mark Paskevicius, Claudio Pistidda, Marek Polanski, Julián Puszkiel, Eugen Rabkin, Martin Sahlberg, Sabrina Sartori, Archa Santhosh, Toyoto Sato, Roni Z Shneck, Magnus H Sørby, Yuanyuan Shang, Vitalie Stavila, Jin-Yoo Suh, Suwarno Suwarno, Le Thi Thu, Liwen F Wan, Colin J Webb, Matthew Witman, ChuBin Wan, Brandon C Wood, Volodymyr A Yartys

Publikováno v: Pasquini, L, Sakaki, K, Akiba, E, Allendorf, M D, Alvares, E, Ares, J R, Babai, D, Baricco, M, Bellosta Von Colbe, J, Bereznitsky, M, Buckley, C E, Cho, Y W, Cuevas, F, De Rango, P, Dematteis, E M, Denys, R V, Dornheim, M, Fernández, J F, Hariyadi, A, Hauback, B C, Heo, T W, Hirscher, M, Humphries, T D, Huot, J, Jacob, I, Jensen, T R, Jerabek, P, Kang, S Y, Keilbart, N, Kim, H, Latroche, M, Leardini, F, Li, H, Ling, S, Lototskyy, M V, Mullen, R, Orimo, S I, Paskevicius, M, Pistidda, C, Polanski, M, Puszkiel, J, Rabkin, E, Sahlberg, M, Sartori, S, Santhosh, A, Sato, T, Shneck, R Z, Sørby, M H, Shang, Y, Stavila, V, Suh, J Y, Suwarno, S, Thi Thu, L, Wan, L F, Webb, C J, Witman, M, Wan, C, Wood, B C & Yartys, V A 2022, ' Magnesium-and intermetallic alloys-based hydrides for energy storage : Modelling, synthesis and properties ', Progress in Energy, vol. 4, no. 3, 032007 . https://doi.org/10.1088/2516-1083/ac7190
Pasquini, L.; Sakaki, K.; Akiba, E.; Allendorf, M.D.; Alvares, E.; Ares, J.R.; Babai, D.; Baricco, M.; Bellosta Von Colbe, J.; Bereznitsky, M.; Buckley, C.E.; Cho, Y.W.; Cuevas, F.; De Rango, P.; Dematteis, E.M.; Denys, R.V.; Dornheim, M.; Fernández, J.F.; Hariyadi, A.; Hauback, B.C.; Heo, T.W.; Hirscher, M.; Humphries, T.D.; Huot, J.; Jacob, I.; Jensen, T.R.; Jerabek, P.; Kang, S.Y.; Keilbart, N.; Kim, H.; Latroche, M.; Leardini, F.; Li, H.; Ling, S.; Lototskyy, M.V.; Mullen, R.; Orimo, S.-I.; Paskevicius, M.; Pistidda, C.; Polanski, M.; Puszkiel, J.; Rabkin, E.; Sahlberg, M.; Sartori, S.; Santhosh, A.; Sato, T.; Shneck, R.Z.; Sørby, M.H.; Shang, Y.; Stavila, V.; Suh, J.-Y.; Suwarno, S.; Thi Thu, L.; Wan, L.F.; Webb, C.J.; Witman, M.; Wan, C.; Wood, B.C.; Yartys, V.A.: Magnesium-and intermetallic alloys-based hydrides for energy storage: modelling, synthesis and properties. In: Progress in Energy. Vol. 4 (2022) 3, 032007. (DOI: /10.1088/2516-1083/ac7190)
Progress in energy
Progress in energy, Bristol: IOP Publishing, 2022, 4 (3), pp.032007. ⟨10.1088/2516-1083/ac7190⟩

Artículo escrito por un elevado número de autores, solo se referencian el que aparece en primer lugar, el nombre del grupo de colaboración, si le hubiere, y los autores pertenecientes a la UAM
Hydrides based on magnesium and intermetallic com

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::bebd7e9bed0485427ad88dffc0606071
https://hdl.handle.net/10486/706696

Large Exchange Bias, High Dielectric Constant, and Outstanding Ionic Conductivity in a Single‐Phase Spin Glass

Autor: Mohammad R. Ghazanfari, Archa Santhosh, Konrad Siemensmeyer, Friederike Fuß, Lennart Staab, Johannes C. Vrijmoed, Bertram Peters, Moritz Liesegang, Stefanie Dehnen, Oliver Oeckler, Paul Jerabek, Günther Thiele

Publikováno v: Ghazanfari, M. R.; Santhosh, A.; Siemensmeyer, K.; Fuß, F.; Staab, L.; Vrijmoed, J. C.; Peters, B.; Liesegang, M.; Dehnen, S.; Oeckler, O.; Jerabek, P.; Thiele, G.: Large Exchange Bias, High Dielectric Constant, and Outstanding Ionic Conductivity in a Single-Phase Spin Glass. In: Advanced Electronic Materials. Vol. 8 (2022) 11, 2200483. (DOI: /10.1002/aelm.202200483)
Advanced Electronic Materials, 8 (11), 2200483

The multigram synthesis of K [Fe S ] starting from K S and FeS is presented, and its electronic and magnetic properties are investigated. The title compound obtains a defect variant of the K[Fe Se ] structure type. Dielectric and impedance measuremen

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::283c94dfbdb7efa1a7a20444dc5e3430