Enhanced gas adsorption on graphitic substrates via defects and local curvature: A density functional theory study

Journal of Physical Chemistry C

Volumn 118, Issue 15, 2014, Pages 7741-7750

  Dutta, Debosruti ^a,d   Wood, Brandon C ^b,c   Bhide, Shreyas Y ^a   Ayappa, K Ganapathy ^a   Narasimhan, Shobhana ^b  

^a INDIAN INSTITUTE OF SCIENCE   (India)

^b JAWAHARLAL NEHRU CENTRE FOR ADVANCED SCIENTIFIC RESEARCH   (India)

^c LAWRENCE LIVERMORE NATIONAL LABORATORY   (United States)

^d UNIVERSITY OF SOUTH FLORIDA   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

BINDING ENERGY; DENSITY FUNCTIONAL THEORY; GAS ADSORPTION; GRAPHENE; METHANE; POINT DEFECTS; TENSILE STRAIN;

ADSORPTION ENERGIES; COMPRESSIVE STRAIN; DENSITY FUNCTIONAL THEORY STUDIES; GRAPHENE SHEETS; GRAPHITIC SUBSTRATES; LOCAL CURVATURE; NATIVE POINT DEFECTS; STONE-WALES DEFECTS;

CARBON DIOXIDE;

EID: 84898931898     PISSN: 19327447     EISSN: 19327455     Source Type: Journal    
DOI: 10.1021/jp411338a     Document Type: Article

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