Theoretical prediction by DFT and experimental observation of heterocation-doping effects on hydrogen adsorption and migration over the CeO2(111) surface

Hydrogen (H) atom adsorption and migration over the CeO2-based materials surface are of great importance because of its wide applications to catalytic reactions and electrochemical devices. Therefore, comprehensive knowledge for controlling the H atom adsorption and migration over CeO2-based materia...

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Veröffentlicht in:	Physical chemistry chemical physics : PCCP 2021-01, Vol.23 (8), p.4509-4516
Hauptverfasser:	Murakami, Kota, Mizutani, Yuta, Sampei, Hiroshi, Ishikawa, Atsushi, Tanaka, Yuta, Hayashi, Sasuga, Doi, Sae, Higo, Takuma, Tsuneki, Hideaki, Nakai, Hiromi, Sekine, Yasushi
Format:	Artikel
Sprache:	eng
Schlagworte:	Adsorption Ammonia Atomic radius Cerium oxides Chemical reactions Density functional theory Doping Electric fields Surface chemistry
Online-Zugang:	Volltext
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