O-vacancy and surface on CeO2: A first-principles study

Journal of Physics and Chemistry of Solids

Volumn 71, Issue 5, 2010, Pages 788-796

  Shi, Siqi ^a,b   Tang, Yuanhao ^a   Ouyang, Chuying ^c   Cui, Lixia ^a   Xin, Xiaogui ^a   Li, Peijuan ^a   Zhou, Weiwei ^a   Zhang, Hua ^a   Lei, Minsheng ^c   Chen, Liquan ^b,d  

^a ZHEJIANG SCI TECH UNIVERSITY   (China)

^b INSTITUTE OF PHYSICS   (China)

^c JIANGXI NORMAL UNIVERSITY   (China)

^d Chonnam National University   (South Korea)

Author keywords

A. Ceramics; A. Oxides; A. Surfaces; C. Ab initio calculations; D. Electronic structure

Indexed keywords

4F STATE; A. CERAMICS; A. SURFACES; AB INITIO CALCULATIONS; ATOMIC LAYER; C. AB INITIO CALCULATIONS; EXCESS ELECTRONS; EXPERIMENTAL OBSERVATION; FIRST-PRINCIPLES DENSITY FUNCTIONAL THEORY; FIRST-PRINCIPLES STUDY; FORMATION ENERGIES; STABLE SURFACES; SURFACE LAYERS; TWO LAYERS;

CALCULATIONS; CERAMIC MATERIALS; CERIUM; CERIUM COMPOUNDS; DENSITY FUNCTIONAL THEORY; ELECTRONIC PROPERTIES; ELECTRONIC STRUCTURE;

ATOMS;

EID: 77950339887     PISSN: 00223697     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.jpcs.2010.02.002     Document Type: Article

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