Zobrazeno 1 - 10
of 59
pro vyhledávání: '"Sergei I. Simak"'
Autor:
Kristina Spektor, Holger Kohlmann, Dmitrii Druzhbin, Wilson A. Crichton, Shrikant Bhat, Sergei I. Simak, Olga Yu Vekilova, Ulrich Häussermann
Publikováno v:
Frontiers in Chemistry, Vol 11 (2023)
Hydrogenation reactions at gigapascal pressures can yield hydrogen-rich materials with properties relating to superconductivity, ion conductivity, and hydrogen storage. Here, we investigated the ternary Na–Si–H system by computational structure p
Externí odkaz:
https://doaj.org/article/551bfc2932ca4ee98a6f0750c541cb67
Autor:
Alisa Gordeeva, Ying-Jui Hsu, Istvan Z. Jenei, Paulo H. B. Brant Carvalho, Sergei I. Simak, Ove Andersson, Ulrich Häussermann
Publikováno v:
ACS Omega, Vol 5, Iss 28, Pp 17617-17627 (2020)
Externí odkaz:
https://doaj.org/article/e077d9bbee2349cea806925054489bee
Autor:
Kristina Spektor, Wilson A. Crichton, Stanislav Filippov, Johan Klarbring, Sergei I. Simak, Andreas Fischer, Ulrich Häussermann
Publikováno v:
ACS Omega, Vol 5, Iss 15, Pp 8730-8743 (2020)
Externí odkaz:
https://doaj.org/article/3e2774e9536e43bd8393cdae4e58ce50
Autor:
Daniel Eklöf, Andreas Fischer, Annop Ektarawong, Aleksander Jaworski, Andrew J. Pell, Jekabs Grins, Sergei I. Simak, Björn Alling, Yang Wu, Michael Widom, Wolfgang Scherer, Ulrich Häussermann
Publikováno v:
ACS Omega, Vol 4, Iss 20, Pp 18741-18759 (2019)
Externí odkaz:
https://doaj.org/article/15aa48099c934271a90d161374c48e33
Publikováno v:
Nature Communications, Vol 10, Iss 1, Pp 1-7 (2019)
The inner core of the Earth is formed of a crystalline solid which is mostly composed of iron. Here, the authors use molecular dynamics methods to show that the crystalline structure of the inner core may have a viscosity close to that of liquid iron
Externí odkaz:
https://doaj.org/article/482a9270736e458f94ab58652f556027
Autor:
Olga Yu. Vekilova, Doreen C. Beyer, Shrikant Bhat, Robert Farla, Volodymyr Baran, Sergei I. Simak, Holger Kohlmann, Ulrich Häussermann, Kristina Spektor
Publikováno v:
Inorganic Chemistry. 62:8093-8100
Autor:
Bin Zhang, Johan Klarbring, Fuxiang Ji, Sergei I. Simak, Igor A. Abrikosov, Feng Gao, Galyna Yu Rudko, Weimin M. Chen, Irina A. Buyanova
Publikováno v:
The Journal of Physical Chemistry C. 127:1908-1916
Phonon-phonon and electron/exciton-phonon coupling play a vitally important role in thermal, electronic, as well as optical properties of metal halide perovskites. In this work, we evaluate phonon anharmonicity and coupling between electronic and vib
Electronic structure of the magnetic halide double perovskites Cs2(Ag,Na)FeCl6 from first principles
Publikováno v:
Physical Review Materials. 7
Autor:
Fuxiang Ji, Johan Klarbring, Feng Wang, Weihua Ning, Linqin Wang, Chunyang Yin, José Silvestre Mendoza Figueroa, Christian Kolle Christensen, Martin Etter, Thomas Ederth, Licheng Sun, Sergei I. Simak, Igor A. Abrikosov, Feng Gao
Publikováno v:
Angewandte Chemie. 132:15303-15306
Autor:
Kristina Spektor, Andreas Fischer, Sergei I. Simak, Ulrich Häussermann, Stanislav Filippov, Wilson A. Crichton
Publikováno v:
'Inorganic Chemistry ', vol: 59, pages: 16467-16473 (2020)
The formation of ternary hydrogen-rich hydrides involving the first-row transition metals TM = Fe and Co in high oxidation states is demonstrated from in situ synchrotron diffraction studies of reaction mixtures NaH-TM-H-2 at p approximate to 10 GPa.