Ab initio study of the interactions between boron and nitrogen dopants in graphene

Journal of Applied Physics

Volumn 112, Issue 3, 2012, Pages

  Al Aqtash, Nabil ^a   Al Tarawneh, Khaldoun M ^a,b   Tawalbeh, Tarek ^a   Vasiliev, Igor ^a  

^a NEW MEXICO STATE UNIVERSITY   (United States)

^b PRINCESS SUMAYA UNIVERSITY FOR TECHNOLOGY   (Jordan)

Author keywords

[No Author keywords available]

Indexed keywords

AB INITIO STUDY; CO-DOPED; COMPUTATIONAL STUDIES; DENSITIES OF STATE; DONOR-ACCEPTOR INTERACTION; DOPANT ATOMS; ELECTRONIC CHARGE DISTRIBUTION; EQUILIBRIUM GEOMETRIES; EXCHANGE-CORRELATION FUNCTIONALS; GENERALIZED GRADIENT APPROXIMATIONS; GRAPHENE SHEETS; HEXAGONAL BORON NITRIDE; INTERACTION ENERGIES; NITROGEN DOPANT; SEPARATION DISTANCES; TOTAL ENERGY;

ATOMS; CALCULATIONS; DENSITY FUNCTIONAL THEORY; GRAPHENE;

DOPING (ADDITIVES);

EID: 84865271852     PISSN: 00218979     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.4742063     Document Type: Article

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