First principle study of the interaction and charge transfer between graphene and organic molecules

Computational Materials Science

Volumn 56, Issue , 2012, Pages 79-84

  Chi, Mei ^a   Zhao, Ya Pu ^a  

^a INSTITUTE OF MECHANICS   (China)

Author keywords

Adsorption; First principle study; Graphene; Organic molecules

Indexed keywords

DENSITY OF STATE; ELECTROPHILIC MOLECULES; F4-TCNQ; FIRST-PRINCIPLE STUDY; FIRST-PRINCIPLE THEORY; GRAPHENE SHEETS; MULLIKEN POPULATION ANALYSIS; NANOELECTRONIC DEVICES; NUCLEOPHILIC MOLECULES; ORGANIC MOLECULES;

ADSORPTION; CARRIER CONCENTRATION; CHARGE TRANSFER; MOLECULES;

GRAPHENE;

EID: 84862777994     PISSN: 09270256     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.commatsci.2011.12.035     Document Type: Article

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