兰州大学机构库 >化学化工学院
Improving gas sensing properties of graphene by introducing dopants and defects: a first-principles study
Zhang, YH; Chen, YB; Zhou, KG; Liu, CH; Zeng, J; Zhang, HL(张浩力); Peng, Y(彭勇); Zhang, YH (reprint author), Lanzhou Univ, Coll Chem & Chem Engn, State Key Lab Appl Organ Chem, Lanzhou 730000, Peoples R China.
Indexed BySCIE ; EI ; PubMed ; MEDLINE ; ESI
ESI NOTE2017-07-19;Highly Cited Papers
2009-05-06
Source PublicationNANOTECHNOLOGY
Volume20Issue:18
PublisherIOP
Publication PlaceBRISTOL
AbstractThe interactions between four different graphenes (including pristine, B- or N-doped and defective graphenes) and small gas molecules (CO, NO, NO2 and NH3) were investigated by using density functional computations to exploit their potential applications as gas sensors. The structural and electronic properties of the graphene-molecule adsorption adducts are strongly dependent on the graphene structure and the molecular adsorption configuration. All four gas molecules show much stronger adsorption on the doped or defective graphenes than that on the pristine graphene. The defective graphene shows the highest adsorption energy with CO, NO and NO2 molecules, while the B- doped graphene gives the tightest binding with NH3. Meanwhile, the strong interactions between the adsorbed molecules and the modified graphenes induce dramatic changes to graphene's electronic properties. The transport behavior of a gas sensor using B- doped graphene shows a sensitivity two orders of magnitude higher than that of pristine graphene. This work reveals that the sensitivity of graphene-based chemical gas sensors could be drastically improved by introducing the appropriate dopant or defect.
Department[Zhang, Yong-Hui;
Chen, Ya-Bin;
Zhou, Kai-Ge;
Liu, Cai-Hong;
Zeng, Jing;
Zhang, Hao-Li] Lanzhou Univ, Coll Chem & Chem Engn, State Key Lab Appl Organ Chem, Lanzhou 730000, Peoples R China;
[Peng, Yong] Univ Sheffield, Dept Mat Engn, Sheffield S1 3JD, S Yorkshire, England
Subject AreaScience & Technology - Other Topics ; Materials Science ; Physics
Project NumberProgram for New Century Excellent Talents in University (NCET) ; National Natural Science Foundation of China (NSFC) [20503011, 20621091] ; Ministry of Education of China [SRFDP 20050730007, 106152] ; Chunhui Project ; '111' Project
Funding Project国家自然科学基金项目 ; 新世纪优秀人才支持计划 ; 高等学校博士学科点专项科研基金 ; 春晖计划
Funding OrganizationProgram for New Century Excellent Talents in University (NCET); National Natural Science Foundation of China (NSFC) [20503011, 20621091]; Ministry of Education of China [SRFDP 20050730007, 106152]; Chunhui Project; '111' Project ; NSFC ; MOE
DOI10.1088/0957-4484/20/18/185504
ISSN0957-4484
SubtypeArticle
Language英语
WOS IDWOS:000265252900015
EI ID20092112091894
PMID 19420616
First Inst
Citation statistics
Cited Times:526[WOS]   [WOS Record]     [Related Records in WOS]
Document Type期刊论文
Identifierhttp://ir.lzu.edu.cn/handle/262010/77112
Collection化学化工学院
Corresponding AuthorZhang, YH (reprint author), Lanzhou Univ, Coll Chem & Chem Engn, State Key Lab Appl Organ Chem, Lanzhou 730000, Peoples R China.
Recommended Citation
GB/T 7714
Zhang, YH,Chen, YB,Zhou, KG,et al. Improving gas sensing properties of graphene by introducing dopants and defects: a first-principles study[J]. NANOTECHNOLOGY,2009,20(18).
APA Zhang, YH.,Chen, YB.,Zhou, KG.,Liu, CH.,Zeng, J.,...&Zhang, YH .(2009).Improving gas sensing properties of graphene by introducing dopants and defects: a first-principles study.NANOTECHNOLOGY,20(18).
MLA Zhang, YH,et al."Improving gas sensing properties of graphene by introducing dopants and defects: a first-principles study".NANOTECHNOLOGY 20.18(2009).
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