On the influence of point defects on the structural and electronic properties of graphene-like sheets: A molecular simulation study

Journal of Molecular Modeling

Volumn 19, Issue 2, 2013, Pages 839-846

  Chigo Anota, Ernesto ^a   Escobedo Morales, Alejandro ^a   Salazar Villanueva, Martin ^a   Vázquez Cuchillo, Odilon ^b   Rubio Rosas, Efrain ^a  

^a BENEMÉRITA UNIVERSIDAD AUTÓNOMA DE PUEBLA   (Mexico)

^b Universidad Politecnica Metropolitana de Puebla   (Mexico)

Author keywords

Boron nitride; Boron nitride oxide; Graphene; Graphene oxide; Molecular simulation; Point defects

Indexed keywords

BORON NITRIDE NANOTUBE; GRAPHENE; GRAPHENE OXIDE;

ARTICLE; CHEMICAL BINDING; CHEMICAL BOND; CHEMICAL STRUCTURE; DENSITY FUNCTIONAL THEORY; ELECTRIC POTENTIAL; ENERGY; MATHEMATICAL ANALYSIS; PRIORITY JOURNAL; SEMICONDUCTOR; SIMULATION;

EID: 84877111999     PISSN: 16102940     EISSN: 09485023     Source Type: Journal    
DOI: 10.1007/s00894-012-1612-z     Document Type: Article

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