Density functional theory study of lithium and fluoride doped boron nitride sheet

Physica Status Solidi (C) Current Topics in Solid State Physics

Volumn 7, Issue 10, 2010, Pages 2559-2561

  Anota, Ernesto Chigo ^a   Villanueva, Martín Salazar ^a   Cocoletzi, Heriberto Hernández ^a  

^a BENEMÉRITA UNIVERSIDAD AUTÓNOMA DE PUEBLA   (Mexico)

Author keywords

BN; Density functional theory; Reactivity; Structure

Indexed keywords

B ATOMS; BN; CORONENE; DENSITY FUNCTIONALS; EXCHANGE AND CORRELATION; FIRST PRINCIPLES TOTAL ENERGY CALCULATIONS; HEXAGONAL STRUCTURES; ISOLATED SYSTEMS; LI ATOMS; NEGATIVE FREQUENCY; REACTIVITY; REACTIVITY PARAMETERS; STRUCTURAL STABILITIES; STRUCTURE;

ATOMS; BOND LENGTH; BORON; DOPING (ADDITIVES); GRAPHENE; LITHIUM; NITRIDES; STABILITY;

DENSITY FUNCTIONAL THEORY;

EID: 78449238512     PISSN: 18626351     EISSN: 16101642     Source Type: Journal    
DOI: 10.1002/pssc.200983909     Document Type: Article

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