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Waved graphene: Unique structure for the adsorption of small molecules
Pan, Hui
2017-03
Source PublicationMATERIALS CHEMISTRY AND PHYSICS
ISSN0254-0584
Volume189Pages:111-117
Abstract

We propose waved graphenes for the strong adsorption of molecules and investigate their potential applications. We find that the physical adsorption of molecules on waved graphene is greatly enhanced by compression. At optimal compression, the physical adsorption energies of H-2, N-2, NO, and CO are increased by 6-9 times, and that for O-2 is more than 2 times. We show that the energy for their chemical adsorption on waved graphene decreases dramatically with the increment of compression. The energy of dissociation of H-2 on flat graphene is 1.63 eV and reduced to 0.06 eV (96% reduction) on waved graphene at a compression of 50%, respectively. The energy for chemical adsorption of O-2 on waved graphenes is extremely reduced from 0.98 eV to -0.57 eV as with compression increasing from 0 to 50%, indicating the transition of endothermic chemical adsorption to exothermic. We further show that the electronic properties of waved graphenes are modified, leading to the change of electrical characters. We see that the waved graphenes may find applications in gas storage, sensor and catalyst because of enhanced physical and chemical adsorption and the induced change of electronic properties. (C) 2016 Elsevier B.V. All rights reserved.

KeywordMolecule Adsorption And Dissociation Waved Graphenes Catalysis First-principles Calculation
DOI10.1016/j.matchemphys.2016.12.061
URLView the original
Indexed BySCIE
Language英語English
WOS Research AreaMaterials Science
WOS SubjectMaterials Science, Multidisciplinary
WOS IDWOS:000393723800018
PublisherELSEVIER SCIENCE SA
The Source to ArticleWOS
Fulltext Access
Citation statistics
Cited Times [WOS]:13   [WOS Record]     [Related Records in WOS]
Document TypeJournal article
CollectionINSTITUTE OF APPLIED PHYSICS AND MATERIALS ENGINEERING
AffiliationUniv Macau, Inst Appl Phys & Mat Engn, Macau, Peoples R China.
First Author AffilicationUniversity of Macau
Recommended Citation
GB/T 7714
Pan, Hui. Waved graphene: Unique structure for the adsorption of small molecules[J]. MATERIALS CHEMISTRY AND PHYSICS,2017,189:111-117.
APA Pan, Hui.(2017).Waved graphene: Unique structure for the adsorption of small molecules.MATERIALS CHEMISTRY AND PHYSICS,189,111-117.
MLA Pan, Hui."Waved graphene: Unique structure for the adsorption of small molecules".MATERIALS CHEMISTRY AND PHYSICS 189(2017):111-117.
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