| 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. | |
| ESI NOTE | 2017-07-19;Highly Cited Papers |
| 2009-05-06 | |
| Source Publication | NANOTECHNOLOGY
 |
| ISSN | 0957-4484 |
| Volume | 20Issue:18 |
| Abstract | The 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. |
| Subject Area | Science & Technology - Other Topics ; Materials Science ; Physics |
| Publisher | IOP |
| DOI | 10.1088/0957-4484/20/18/185504 |
| Publication Place | BRISTOL |
| Indexed By | SCIE ; EI ; PubMed ; MEDLINE ; ESI |
| Language | 英语 |
| First Inst | 是 |
| 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 |
| Project Number | Program 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 |
| WOS ID | WOS:000265252900015 |
| Funding Organization | Program 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 |
| Subtype | Article |
| EI ID | 20092112091894 |
| PMID | 19420616 |
| 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 |
| Citation statistics | |
| Document Type | 期刊论文 |
| Identifier | https://ir.lzu.edu.cn/handle/262010/77112 |
| Collection | 化学化工学院 物理科学与技术学院 |
| Corresponding Author | Zhang, 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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| File Name/Size | DocType | Version | Access | License | |
| 000265252900015.pdf（1471KB） | 开放获取 | CC BY-NC-ND | View Application Full Text | ||
