Natural Science Foundation of Hubei Province: 2017CFB280
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funding vehicle for: Theoretical investigation of the sensing mechanism of the pure graphene and AL,B,N,P doped mono-vacancy graphene-based methane

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Ministry of Land and Resources of the People's Republic of China, MLR: KLRM-KF201802
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funding vehicle for: Theoretical investigation of the sensing mechanism of the pure graphene and AL,B,N,P doped mono-vacancy graphene-based methane

National Natural Science Foundation of China, NSFC: 51674183, 51704212, 51704220
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funding vehicle for: Theoretical investigation of the sensing mechanism of the pure graphene and AL,B,N,P doped mono-vacancy graphene-based methane

Chemical Physics Letters
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publication venue for: Theoretical investigation of the sensing mechanism of the pure graphene and AL,B,N,P doped mono-vacancy graphene-based methane
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Continuant
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RDF description of Theoretical investigation of the sensing mechanism of the pure graphene and AL,B,N,P doped mono-vacancy graphene-based methane - http://orbis.uaslp.mx/vivo/individual/scopus5676
rights: termsOfUse
date: 2026-08-24T04:45:55
publisher: vivo
type: Document

Article
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Information Content Entity
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Theoretical investigation of the sensing mechanism of the pure graphene and AL,B,N,P doped mono-vacancy graphene-based methane
related by: authorship_35922
has publication venue: Chemical Physics Letters
doi: 10.1016/j.cplett.2018.08.076
type: Information Content Entity
has funding vehicle: National Natural Science Foundation of China, NSFC: 51674183, 51704212, 51704220
volume: 710
type: Article
type: Generically Dependent Continuant
origen: scopus
estado: published
related by: authorship_35925
crisid: 5677
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related by: authorship_35926
type: Continuant
page end: 225
page start: 221
related by: authorship_35923
date time value: article date 5677
has funding vehicle: Natural Science Foundation of Hubei Province: 2017CFB280
related by: authorship_35924
e iscopus: 2-s2.0-85053085696
most specific type: Article
type: Document
freetext keyword: Adsorption; CH4 gas molecule; Electronic structure; Graphene; Mono-vacancy Adsorption; Aluminum compounds; Density functional theory; Electronic structure; Gas detectors; Molecules; Phosphorus; Adsorption energies; Al doped; Candidate materials; CH4 gas; Sensing mechanism; Theoretical investigations; Graphene
has funding vehicle: Ministry of Land and Resources of the People's Republic of China, MLR: KLRM-KF201802
most specific type: Document
type: Entity
abstract: The interaction of CH4 gas molecule on pure graphene and Al, B, N, P doped mono-vacancy graphene by using the density functional theory (DFT) to explore their potential applications as gas sensors. The results demonstrate that the system of Al doped mono-vacancy graphene is the most stable, and Al-doped mono-vacancy graphene performs the largest adsorption energies upon CH4 with the most appreciable effects on the electronic structures. In addition, the adsorption of CH4 can largely enhance the conductivity of these graphene. In summary, we believe that the Al-doped mono-vacancy graphene could be a promising candidate material for the CH4 gas sensors. © 2018
related by: authorship_35921