Ab initio study of adsorption properties of hazardous organic molecules on graphene: Phenol, phenyl azide, and phenylnitrene

Chemical Physics Letters

Volumn 618, Issue , 2015, Pages 57-62

  Lee, Junsu ^a   Min, Kyung Ah ^a   Hong, Suklyun ^a   Kim, Gunn ^a  

^a Sejong University   (South Korea)

Author keywords

[No Author keywords available]

Indexed keywords

ADSORPTION; CALCULATIONS; GRAPHENE; HAZARDS; MOLECULES; ORGANIC CHEMICALS; PHENOLS; VAN DER WAALS FORCES;

ADSORPTION ENERGIES; ADSORPTION PROPERTIES; FIRST-PRINCIPLES DENSITY FUNCTIONAL THEORY; ORGANIC MOLECULES; SORPTION CAPABILITY; STACKING CONFIGURATIONS; STACKING STRUCTURES; VAN DER WAALS INTERACTIONS;

DENSITY FUNCTIONAL THEORY;

EID: 84929457343     PISSN: 00092614     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.cplett.2014.10.064     Document Type: Article

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