Theoretical study of chemisorption of hydrogen atoms on the sidewalls of armchair single-walled carbon nanotubes with Stone–Wales defect

Aidong Zhang; Donglai Wang; Dongyan Hou

doi:10.1016/j.comptc.2012.08.024

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Theoretical study of chemisorption of hydrogen atoms on the sidewalls of armchair single-walled carbon nanotubes with Stone–Wales defect

Aidong Zhang Donglai Wang Dongyan Hou

Year: 2012 Journal: Computational and Theoretical Chemistry Vol: 999 Pages: 121-125 Publisher: Elsevier BV

DOI: 10.1016/j.comptc.2012.08.024

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Keywords:

Exothermic reaction Carbon nanotube Chemisorption Hydrogen Chemistry Reactivity (psychology) Nanotube Basis set Adsorption Density functional theory Computational chemistry Chemical physics Nanotechnology Atomic physics Physical chemistry Materials science Organic chemistry Physics

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Carbon Nanotubes in Composites

Physical Sciences → Materials Science → Materials Chemistry

Advancements in Battery Materials

Physical Sciences → Engineering → Electrical and Electronic Engineering

Graphene research and applications

Physical Sciences → Materials Science → Materials Chemistry

Theoretical study of chemisorption of hydrogen atoms on the sidewalls of armchair single-walled carbon nanotubes with Stone–Wales defect

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