A DFT study of volatile organic compounds adsorption on transition metal deposited graphene

[Display omitted] •VOCs removal via modified carbon-based adsorbent using density functional theory.•The single-vacancy defective graphene (SDG) with metal-deposited significantly increase the adsorption efficiency.•TM-doped SDG is a suitable adsorbent material for VOC removal.•Electron in hybridize...

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Bibliographic Details

Published in:	Applied surface science Vol. 396; pp. 1712 - 1718
Main Authors:	Kunaseth, Manaschai, Poldorn, Preeyaporn, Junkeaw, Anchalee, Meeprasert, Jittima, Rungnim, Chompoonut, Namuangruk, Supawadee, Kungwan, Nawee, Inntam, Chan, Jungsuttiwong, Siriporn
Format:	Journal Article
Language:	English
Published:	Elsevier B.V 28-02-2017
Subjects:	DFT Single-vacancy defective graphene Transition metal Volatile organic compounds Volatile organic compounds Single-vacancy defective graphene Transition metal DFT
Online Access:	Get full text
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