Electronic Origin of Catalytic Activity of TiH2 for Ammonia Synthesis
Sign Up to like & getrecommendations! Published in 2021 at "Journal of Physical Chemistry C"
DOI: 10.1021/acs.jpcc.0c10907
Abstract: Transition metals with a higher-lying Fermi level (a smaller work function) such as Ti can easily activate nitrogen and hydrogen reductively to form nitrides and hydrides on its surface, but ammoni... read more here.
Keywords: electronic origin; catalytic activity; tih2 ammonia; origin catalytic ... See more keywords
Electronic origin of negative thermal expansion in V2OPO4.
Sign Up to like & getrecommendations! Published in 2020 at "Chemical communications"
DOI: 10.1039/d0cc01920h
Abstract: Negative volume expansion between 620 and 800 K in V2OPO4 is discovered to be of electronic origin due to the charge ordering transition at 605 K. Domain reorientation and coexistence of the low and high… read more here.
Keywords: negative thermal; expansion; origin negative; electronic origin ... See more keywords
Zero Hall conductivity and its electronic origin in a Cr-doped topological insulator
Sign Up to like & getrecommendations! Published in 2018 at "Physical Review B"
DOI: 10.1103/physrevb.98.081117
Abstract: We investigate the electronic origin of the zero Hall conductivity or the axion phase of a Crdoped Sb2Te3 film by analyzing the evolution of its band structure upon the magnetic field sweep. By applying a… read more here.
Keywords: zero hall; hall; electronic origin; hall conductivity ... See more keywords
Electronic Origin of Non-Zone-Center Phonon Condensation: Octahedral Rotation as a Case Study.
Sign Up to like & getrecommendations! Published in 2021 at "Physical review letters"
DOI: 10.1103/physrevlett.127.215701
Abstract: Unstable zone-boundary phonon modes drive atomic displacements linked to a rich array of properties. Yet, the electronic origin of the instability remains to be clearly explained. In this Letter, we propose that bonding interaction between… read more here.
Keywords: electronic origin; non zone; center phonon; zone center ... See more keywords