Theoretical insights into the effects of the diameter and helicity on the adsorption of formic acid on silicon carbide nanotube

Journal of Nanoparticle Research

Volumn 14, Issue 1, 2012, Pages

  Chen, Ying ^a   Wang, Hong Xia ^a   Zhao, Jing Xiang ^a   Wang, Xiao Guang ^a   Cai, Qing Hai ^a   Ding, Yi Hong ^b   Wang, Xuan Zhang ^a  

^a HARBIN NORMAL UNIVERSITY   (China)

^b JILIN UNIVERSITY   (China)

Author keywords

Adsorption; Density functional theory; Formic acid; Modeling and simulation; Silicon carbide nanotube

Indexed keywords

ADSORPTION MODES; BAND GAPS; DENSITY FUNCTIONALS; DENSITY-FUNCTIONAL THEORY CALCULATIONS; HELICITIES; MODELING AND SIMULATION; MOLECULAR AND DISSOCIATIVE ADSORPTION; MOLECULAR DEVICE; MONODENTATES; SEMI-CONDUCTOR SURFACES; SIC NANOTUBES; SILICON CARBIDE NANOTUBE; SILICON CARBIDE NANOTUBES; SMALL ORGANIC MOLECULES; TUBE DIAMETERS;

ADSORPTION; COMPUTER SIMULATION; DISSOCIATION; FORMIC ACID; HYBRID SYSTEMS; MOLECULES; NANOSTRUCTURED MATERIALS; NANOTUBES; SEMICONDUCTOR DEVICES;

SILICON CARBIDE;

FORMIC ACID; NANOMATERIAL; NANOTUBE; SILICON CARBIDE;

ADSORPTION KINETICS; ARTICLE; DENSITY FUNCTIONAL THEORY; MATHEMATICAL MODEL; MOLECULAR DYNAMICS; PARTICLE SIZE; PRIORITY JOURNAL; STRUCTURE ANALYSIS;

EID: 84862817078     PISSN: 13880764     EISSN: 1572896X     Source Type: Journal    
DOI: 10.1007/s11051-011-0675-6     Document Type: Article

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