A model to understand the oxygen vacancy formation in Zr-doped CeO 2: Electrostatic interaction and structural relaxation

Journal of Physical Chemistry C

Volumn 113, Issue 23, 2009, Pages 10229-10232

  Wang, Hai Feng ^a,b   Gong, Xue Qing ^a   Guo, Yang Long ^a   Guo, Yun ^a   Lu, Guan Zhong ^a   Hu, P ^a  

^a RESEARCH INSTITUTE OF INDUSTRIAL CATALYSIS   (China)

^b QUEEN'S UNIVERSITY BELFAST   (United Kingdom)

Author keywords

[No Author keywords available]

Indexed keywords

COULOMB CORRECTIONS; DOPED CEO; ELECTROSTATIC INTERACTIONS; OXYGEN STORAGE CAPACITY; VACANCY FORMATION; VACANCY FORMATION ENERGIES;

CERIUM; CERIUM COMPOUNDS; ELECTROSTATICS; OXYGEN; OXYGEN VACANCIES; STRUCTURAL RELAXATION; ZIRCONIUM;

DENSITY FUNCTIONAL THEORY;

EID: 67649933894     PISSN: 19327447     EISSN: 19327455     Source Type: Journal    
DOI: 10.1021/jp900942a     Document Type: Article

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