STM Images of Anionic Defects at CeO2(111)—A Theoretical Perspective

We present a theoretically oriented analysis of the appearance and properties of plausible candidates for the anionic defects observed in scanning tunneling microscopy (STM) experiments on CeO2(111). The simulations are based on density functional theory (DFT) and cover oxygen vacancies, fluorine im...

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Main Authors: Matthew J. Wolf, Christopher W. M. Castleton, Kersti Hermansson, Jolla Kullgren
Formato: Artigo
Idioma:Inglês
Publicado em: Frontiers Media S.A. 2019-06-01
Colecção:Frontiers in Chemistry
Assuntos:
simulated STM images
cerium dioxide (CeO2)
density functional theory
anionic defects
reducible oxide
Acesso em linha:https://www.frontiersin.org/article/10.3389/fchem.2019.00212/full
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