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Volumn 963, Issue 1, 2010, Pages 2-8
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Structural and electronic properties of CenO2n (n = 1-5) nanoparticles: A computational study
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Author keywords
Catalyst; CeO2 nanoparticle; Density functional theory; Electronic structure
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Indexed keywords
ATOMIC BASIS SET;
CEO2 NANOPARTICLE;
COMPUTATIONAL STUDIES;
DIFFERENT SIZES;
FIRST-PRINCIPLES;
FUKUI FUNCTIONS;
MINIMAL ENERGY;
NANOPARTICLE DENSITY;
PROMISING MATERIALS;
SIMULATED ANNEALING METHOD;
CATALYSIS;
CATALYSTS;
CERIUM;
CERIUM COMPOUNDS;
CHEMICAL REACTIVITY;
ELECTRONIC DENSITY OF STATES;
ELECTRONIC PROPERTIES;
ELECTRONIC STRUCTURE;
NANOPARTICLES;
SIMULATED ANNEALING;
TIME VARYING SYSTEMS;
WAVE FUNCTIONS;
DENSITY FUNCTIONAL THEORY;
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EID: 72149109005
PISSN: 00222860
EISSN: None
Source Type: Journal
DOI: 10.1016/j.molstruc.2009.09.019 Document Type: Article |
Times cited : (9)
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References (48)
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