Stacking of polycyclic aromatic hydrocarbons as prototype for graphene multilayers, studied using density functional theory augmented with a dispersion term

Journal of Chemical Physics

Volumn 131, Issue 19, 2009, Pages

  Feng, C ^a,b   Lin, C S ^a,c   Fan, W ^b   Zhang, R Q ^a   Van Hove, M A ^a  

^a CITY UNIVERSITY OF HONG KONG   (Hong Kong)

^b TECHNICAL INSTITUTE OF PHYSICS AND CHEMISTRY   (China)

^c FUJIAN INSTITUTE OF RESEARCH ON THE STRUCTURE OF MATTER   (China)

Author keywords

[No Author keywords available]

Indexed keywords

A-DENSITY; BENZENE DIMERS; BI-LAYER; BROADBAND LUMINESCENCE; CARBON-BASED; DISPERSIVE INTERACTIONS; FINITE-SIZE MODELS; GRAPHENE MULTILAYERS; GRAPHENE SHEETS; MODEL SIZE; MOLECULAR MODELS; NANO-MATERIALS; POLYAROMATIC HYDROCARBONS; STACKED LAYER; STACKING ORDER; VISIBLE RANGE;

AROMATIC HYDROCARBONS; BENZENE; BINDING ENERGY; DIAMOND FILMS; ENERGY GAP; GRAPHITE; MULTILAYERS; OLIGOMERS; ORGANIC COMPOUNDS; ORGANIC POLYMERS; POLYCYCLIC AROMATIC HYDROCARBONS; SOLIDS;

DENSITY FUNCTIONAL THEORY;

POLYCYCLIC AROMATIC HYDROCARBON;

ARTICLE; CHEMISTRY; DIMERIZATION; THEORETICAL MODEL;

DIMERIZATION; MODELS, THEORETICAL; POLYCYCLIC HYDROCARBONS, AROMATIC;

EID: 70450260665     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.3251785     Document Type: Article

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