2002
DOI: 10.1016/s0009-2614(01)01486-5
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Methane adsorption on single-walled carbon nanotube: a density functional theory model

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Cited by 113 publications
(92 citation statements)
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“…Whcich is in accordance with the distance 0.348 nm obtained for the 1-site model of CH 4 molecules in the rigid (10,10) CNT [24]. Adsorption of methane molecules on the CNT surfaces was also studied using density functional theory (DFT) method [33][34][35][36][37][38] and second order Möller-Plesset perturbation calculations [39].…”
Section: Introductionsupporting
confidence: 77%
“…Whcich is in accordance with the distance 0.348 nm obtained for the 1-site model of CH 4 molecules in the rigid (10,10) CNT [24]. Adsorption of methane molecules on the CNT surfaces was also studied using density functional theory (DFT) method [33][34][35][36][37][38] and second order Möller-Plesset perturbation calculations [39].…”
Section: Introductionsupporting
confidence: 77%
“…Although CNTs as a new valuable material for the storage of hydrogen gas, methane and carbon monoxide were widely investigated (Darkrim et al, 2002;Gu et al, 2002;Tanaka et al, 2002), the adsorption of MCs by CNTs was not reported previously.…”
Section: Introductionmentioning
confidence: 99%
“…The adsorption of other gases such as He, NH 3 , N 2 , and SF 6 in CNTs as well as carbon foams, was recently achieved by Tanaka et al [137].…”
Section: Gas and Hydrogen Storagementioning
confidence: 99%