Physical Origin of Unusual Anisotropic Motion of Columnar Oxygen Ions in Apatite-Type Fast Ionic Conductor of Lanthanum Silicate
Sign Up to like & getrecommendations! Published in 2017 at "Journal of Physical Chemistry C"
DOI: 10.1021/acs.jpcc.7b06086
Abstract: First-principles molecular dynamics simulations of stoichiometric La9.33(SiO4)6O2 were performed to investigate a physical origin on the unusual anisotropic distributions of columnar oxygen ions (O4) reported experimentally. Based on the mechanisms proposed previously, effects of O4… read more here.
Keywords: oxygen; motion; physical origin; unusual anisotropic ... See more keywords
Exploring the physical origin of the electrocatalytic performance of an amorphous alloy catalyst via machine learning accelerated DFT study.
Sign Up to like & getrecommendations! Published in 2022 at "Nanoscale"
DOI: 10.1039/d1nr07661b
Abstract: The amorphous alloy Pd40Ni10Cu30P20 is a rising star as an HER catalyst since it possesses an excellent electrocatalytic activity and a high durability in practical experiments. However, the physical origin of the electrocatalytic performance of… read more here.
Keywords: dft; physical origin; amorphous alloy; alloy catalyst ... See more keywords
Revisiting the physical origin and nature of surface states in inverted-band semiconductors
Sign Up to like & getrecommendations! Published in 2022 at "Physical Review B"
DOI: 10.1103/physrevb.105.035305
Abstract: Alexander Khaetskii, Vitaly Golovach, 3, 4, 5 and Arnold Kiefer Air Force Research Laboratory, Wright-Patterson AFB, Ohio 45433, USA Centro de F́ısica de Materiales (CFM-MPC), Centro Mixto CSIC-UPV/EHU, 20018 Donostia-San Sebastián, Spain Departamento de Poĺımeros… read more here.
Keywords: spain; revisiting physical; san sebasti; sebasti spain ... See more keywords