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Volumn 18, Issue 8, 2012, Pages 3941-3949
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Density functional investigation of hydrogen gas adsorption on Fe-doped pristine and Stone-Wales defected single-walled carbon nanotubes
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Author keywords
Adsorption; Carbon nanotube; DFT; Fe doped; Stone Wales defect
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Indexed keywords
HYDROGEN;
IRON;
SINGLE WALLED NANOTUBE;
ADSORPTION;
ARTICLE;
CHEMICAL INTERACTION;
CHEMICAL REACTION;
CHEMICAL STRUCTURE;
DENSITY FUNCTIONAL THEORY;
GEOMETRY;
HYDROGEN BOND;
PRIORITY JOURNAL;
ADSORPTION;
COMPUTER SIMULATION;
GASES;
HYDROGEN;
IRON;
MODELS, CHEMICAL;
MODELS, MOLECULAR;
MOLECULAR CONFORMATION;
NANOTUBES, CARBON;
QUANTUM THEORY;
THERMODYNAMICS;
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EID: 84864694685
PISSN: 16102940
EISSN: 09485023
Source Type: Journal
DOI: 10.1007/s00894-012-1388-1 Document Type: Article |
Times cited : (40)
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References (39)
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