Density Functional Theory Calculations of Oxygen Vacancy Formation and Subsequent Molecular Adsorption on Oxide Surfaces | Zendy

Yoyo Hinuma | Zendy; Takashi Toyao | Zendy; Takashi Kamachi | Zendy; Zen Maeno | Zendy; Satoru Takakusagi | Zendy; Shinya Furukawa | Zendy; Ichigaku Takigawa | Zendy; Kenichi Shimizu | Zendy

Open Access

Density Functional Theory Calculations of Oxygen Vacancy Formation and Subsequent Molecular Adsorption on Oxide Surfaces

Author(s) -

Yoyo Hinuma,

Takashi Toyao,

Takashi Kamachi,

Zen Maeno,

Satoru Takakusagi,

Shinya Furukawa,

Ichigaku Takigawa,

Kenichi Shimizu

Publication year - 2018

Publication title -

the journal of physical chemistry c

Language(s) - English

Resource type - Journals

SCImago Journal Rank - 1.401

H-Index - 289

eISSN - 1932-7455

pISSN - 1932-7447

DOI - 10.1021/acs.jpcc.8b11279

Subject(s) - adsorption , density functional theory , band gap , oxide , desorption , molecule , vacancy defect , oxygen , materials science , metal , chemical physics , catalysis , valence (chemistry) , density of states , electron , chemistry , computational chemistry , condensed matter physics , crystallography , physics , optoelectronics , biochemistry , organic chemistry , quantum mechanics , metallurgy

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