Adsorption of HCN on reduced graphene oxides: A first-principles study

Journal of Molecular Modeling

Volumn 20, Issue 4, 2014, Pages

  Zhao, Meilian ^a   Yang, Feng ^a   Xue, Ying ^a   Xiao, Dan ^a   Guo, Yong ^a  

^a Sichuan University   (China)

Author keywords

Adsorption; HCN; Hydrogen bond; Oxygen containing group; rGO

Indexed keywords

CARBON; CARBOXYL GROUP; EPOXIDE; GRAPHENE; GRAPHENE OXIDE; HYDROGEN; HYDROGEN CYANIDE; HYDROXYL GROUP; OXYGEN; REDUCED GRAPHENE OXIDE; SINGLE WALLED NANOTUBE; UNCLASSIFIED DRUG; GRAPHITE; HYDROXYL RADICAL; OXIDE;

ADSORPTION; ARTICLE; DENSITY GRADIENT; ELECTRIC CONDUCTIVITY; ELECTRON; HYBRIDIZATION; HYDROGEN BOND; MOLECULAR SENSOR; MOLECULE; PRIORITY JOURNAL; SIGNAL NOISE RATIO; SURFACE PROPERTY; CHEMICAL MODEL; CHEMICAL STRUCTURE; CHEMISTRY;

ADSORPTION; GRAPHITE; HYDROXYL RADICAL; MODELS, CHEMICAL; MODELS, MOLECULAR; OXIDES;

EID: 84897119546     PISSN: 16102940     EISSN: 09485023     Source Type: Journal    
DOI: 10.1007/s00894-014-2214-8     Document Type: Article

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