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Volumn 102, Issue 2, 2009, Pages

Density-functional calculations of the structure of near-surface oxygen vacancies and electron localization on CeO2(111)

(3) Ganduglia Pirovano, M Verónica a Da Silva, Juarez L F a,b Sauer, Joachim a

a HUMBOLDT UNIVERSITY (Germany)

b NATIONAL RENEWABLE ENERGY LABORATORY (United States)

Author keywords

[No Author keywords available]

Indexed keywords

CERIUM; CERIUM COMPOUNDS; DEFECTS; ELECTRONS; OXYGEN; OXYGEN VACANCIES; PROBABILITY DENSITY FUNCTION; PROGRAMMING THEORY; SURFACE DEFECTS; SURFACE STRUCTURE; VACANCIES; WAVE FUNCTIONS;

DENSITY-FUNCTIONAL CALCULATIONS; DENSITY-FUNCTIONAL THEORIES; ELECTRON DISTRIBUTIONS; ELECTRON LOCALIZATIONS; EXCESS ELECTRONS; HUBBARD; LATTICE RELAXATIONS; LOCAL DENSITIES; NEAR SURFACES; NEAREST NEIGHBORS; PERDEW-BURKE-ERNZERHOF; RELATIVE STABILITIES; SUB-SURFACE DEFECTS;

DENSITY FUNCTIONAL THEORY;

EID: 59149090521 PISSN: 00319007 EISSN: 10797114 Source Type: Journal
DOI: 10.1103/PhysRevLett.102.026101 Document Type: Article

Times cited : (524)

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