Theory-guided oxygen-vacancy for enhancing H2S sensing performance of NiO
文献类型：期刊论文
| 作者 | Li, Ke1,3; Luo, Yuanyuan1,2 ; Liu, Bo2; Wang, Hong1,2; Gao, Lei2; Duan, Guotao3
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| 刊名 | CHEMICAL ENGINEERING JOURNAL
 |
| 出版日期 | 2022-03-15 |
| 卷号 | 432 |
| ISSN号 | 1385-8947 |
| 关键词 | Oxygen vacancy DFT calculations NiO Gas sensing H2S |
| DOI | 10.1016/j.cej.2021.134302 |
| 通讯作者 | Luo, Yuanyuan(yyluo@issp.ac.cn) ; Duan, Guotao(duangt@hust.edu.cn) |
| 英文摘要 | As a stable and promising metal oxide semiconductor, NiO has been developed in gas-sensing field. However, the low sensitivity of p-type semiconductor metal oxides hinders their wide application in the sensing field. Herein, we report the introduction of oxygen vacancies into NiO to adjust its electronic structure and adsorption energies for H2S, HS, S, and H species. The corresponding theoretical results indicate that the oxygen vacancies acted as unsaturated and active sites can directly change the electronic structure of NiO and further enhance the sensing performances of H2S by decreasing the transition state energy barriers of H2S and HS species respectively dissociated into HS/H species and S/H species on the surface of NiO. Subsequently, the sensing experiments and ex-situ oS analysis reveal the enhanced H2S sensing mechanism of NiO by introducing oxygen vacancies. In general, the sensing characteristics and sensing mechanism of NiO for H2S were systematically studied through theoretical calculations and experimental phenomena. This work will promote the development of design of oxygen vacancy in MOS sensors and provide new way for revealing the sensing mechanism. |
| WOS关键词 | NICKEL-OXIDE ; NANOPARTICLES ; MICROSPHERES ; NANOSHEETS ; SPHERES |
| 资助项目 | National Key R&D Program of China[2020YFB2008701] ; National Natural Science Foundation of China[52102191] ; National Natural Science Foundation of China[51802309] ; Anhui Provincial Natural Science Foundation[1808085ME137] |
| WOS研究方向 | Engineering |
| 语种 | 英语 |
| 出版者 | ELSEVIER SCIENCE SA |
| WOS记录号 | WOS:000773001400004 |
| 资助机构 | National Key R&D Program of China ; National Natural Science Foundation of China ; Anhui Provincial Natural Science Foundation |
| 源URL | [http://ir.hfcas.ac.cn:8080/handle/334002/128697]  |
| 专题 | 中国科学院合肥物质科学研究院 |
| 通讯作者 | Luo, Yuanyuan; Duan, Guotao |
| 作者单位 | 1.Univ Sci & Technol China, Hefei 230026, Peoples R China 2.Chinese Acad Sci, Key Lab Mat Phys, Anhui Key Lab Nanomat & Nanotechnol, Inst Solid State Phys,HFIPS, Hefei 230031, Peoples R China 3.Huazhong Univ Sci & Technol, Wuhan Natl Lab Optoelect, Sch Opt & Elect Informat, Wuhan 430074, Peoples R China |
| 推荐引用方式 GB/T 7714 | Li, Ke,Luo, Yuanyuan,Liu, Bo,et al. Theory-guided oxygen-vacancy for enhancing H2S sensing performance of NiO[J]. CHEMICAL ENGINEERING JOURNAL,2022,432. |
| APA | Li, Ke,Luo, Yuanyuan,Liu, Bo,Wang, Hong,Gao, Lei,&Duan, Guotao.(2022).Theory-guided oxygen-vacancy for enhancing H2S sensing performance of NiO.CHEMICAL ENGINEERING JOURNAL,432. |
| MLA | Li, Ke,et al."Theory-guided oxygen-vacancy for enhancing H2S sensing performance of NiO".CHEMICAL ENGINEERING JOURNAL 432(2022). |
入库方式： OAI收割
来源：合肥物质科学研究院
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