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ChemPhysChem

Volumn 9, Issue 2, 2008, Pages 300-304

Electronic structures of LixV2O5 (x=0.5 and 1): A theoretical study

(2) Li, Zhi Yang a Wu, Qi Hui a,b

a XIAMEN UNIVERSITY (China)

b UNIVERSITY OF BONN (Germany)

Author keywords

Ab initio calculations; Density functional calculations; Electronic structure; Intercalations; Vanadium

Indexed keywords

CALCULATIONS; DENSITY FUNCTIONAL THEORY; ELECTRON TRANSITIONS; ELECTRONIC PROPERTIES; ELECTRONIC STRUCTURE; ENERGY GAP; INTERCALATION; LOCAL DENSITY APPROXIMATION; VANADIUM; VANADIUM PENTOXIDE;

AB INITIO CALCULATIONS; BRIDGING OXYGEN; ELECTRON TRANSFER; FIRST PRINCIPLE CALCULATIONS; INDIRECT BAND GAP; INTERCALATION SITES; THEORETICAL STUDY; VANADIUM IONS;

LITHIUM;

EID: 38949192522 PISSN: 14394235 EISSN: 14397641 Source Type: Journal
DOI: 10.1002/cphc.200700560 Document Type: Article

Times cited : (12)

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