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Volumn 12, Issue 9, 2010, Pages 1547-1553
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Nerve agents interacting with single wall carbon nanotubes: Density functional calculations
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Author keywords
Adsorption; Density functional theory; Nerve agents; Sensors; SWCNTs
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Indexed keywords
ADSORBED MOLECULES;
ADSORPTION CAPABILITY;
ADSORPTION CHARACTERISTIC;
ADSORPTION ENERGIES;
ADSORPTION PROPERTIES;
ADSORPTION SITE;
ADSORPTIVE CAPABILITY;
BINDING DISTANCE;
CHARGE ANALYSIS;
CHIRAL ANGLES;
CO-ADSORPTION;
DENSITY FUNCTIONAL THEORY METHODS;
DENSITY FUNCTIONALS;
DENSITY-FUNCTIONAL CALCULATIONS;
FIRST-PRINCIPLES CALCULATION;
NERVE AGENTS;
OUTER SURFACE;
SINGLE-WALL CARBON NANOTUBES;
SWCNTS;
BINDING ENERGY;
CARBON NANOTUBES;
ELECTRONIC STRUCTURE;
MOLECULES;
NUCLEAR ENERGY;
PHYSISORPTION;
POTENTIAL ENERGY;
SENSORS;
SINGLE-WALLED CARBON NANOTUBES (SWCN);
STEREOCHEMISTRY;
DENSITY FUNCTIONAL THEORY;
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EID: 77956055618
PISSN: 12932558
EISSN: None
Source Type: Journal
DOI: 10.1016/j.solidstatesciences.2010.06.019 Document Type: Article |
Times cited : (42)
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References (39)
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