The effect of Fe doping on adsorption of CO2/N2 within carbon nanotubes: A density functional theory study with dispersion corrections

Nanotechnology

Volumn 20, Issue 37, 2009, Pages

  Du, A J ^a   Sun, C H ^a   Zhu, Z H ^a   Lu, G Q ^a   Rudolph, V ^a   Smith, Sean C ^a  

^a UNIVERSITY OF QUEENSLAND   (Australia)

Author keywords

[No Author keywords available]

Indexed keywords

A-DENSITY; AB INITIO; ADSORPTION ENERGIES; DISPERSION CORRECTION; DISPERSIVE INTERACTIONS; FE ATOMS; FE DOPING; LONG RANGE INTERACTIONS; METAL ATOMS; VAN DER WAALS CORRECTION;

ADSORPTION; ATOMS; CARBON NANOTUBES; DENSITY FUNCTIONAL THEORY; PROBABILITY DENSITY FUNCTION; SINGLE-WALLED CARBON NANOTUBES (SWCN); VAN DER WAALS FORCES;

CARBON MONOXIDE;

CARBON DIOXIDE; IRON; NITROGEN; SINGLE WALLED NANOTUBE; CARBON NANOTUBE;

ADSORPTION; ARTICLE; CHEMICAL BOND; CHEMICAL STRUCTURE; CONTROLLED STUDY; DENSITY FUNCTIONAL THEORY; DISPERSION; ENERGY YIELD; PRIORITY JOURNAL; CHEMISTRY; METHODOLOGY; NANOTECHNOLOGY; THEORETICAL MODEL;

ADSORPTION; CARBON DIOXIDE; IRON; MODELS, THEORETICAL; NANOTECHNOLOGY; NANOTUBES, CARBON; NITROGEN;

EID: 70349112318     PISSN: 09574484     EISSN: 13616528     Source Type: Journal    
DOI: 10.1088/0957-4484/20/37/375701     Document Type: Article

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