Experimental and DFT-D3 study of sensitivity and sensing mechanism of ZnSnO3 nanosheets to C3H6O gas

doi:10.1007/s10853-021-06855-5

	Experimental and DFT-D3 study of sensitivity and sensing mechanism of ZnSnO3 nanosheets to C3H6O gas
	Jiang, Lili; Chen, Zhaoyu; Cui, Qi; Xu, Su; Tang, Fuling
	2022-02
发表期刊	JOURNAL OF MATERIALS SCIENCE
ISSN	0022-2461
卷号	57 期号:5 页码:3231-3251
摘要	To find a new type of sensing material with high sensitivity to acetone gas, in this paper, a first-principles method based on density functional theory was used to study the gas-sensing mechanism of perovskite-type ZnSnO3 to acetone. A hydrothermal method was used to prepare perovskite-type ZnSnO3, and perform a gas sensitivity test. Calculated results demonstrate that acetone molecules interacted strongly with the ZnSnO3(001) surface with pre-adsorbed O-2(-) and O-, accompanied by charge transfer that can change the resistance of the material. This phenomenon provides the basis for using ZnSnO3 as an acetone gas-sensitive sensing material. The experimental results showed that the perovskite-type ZnSnO3 has a sheet structure with micro-holes on the surface, which can promote responsivity to acetone gas. The gas sensitivity test indicated the optimal operating temperature is 350 degrees C, the response/recovery time is 4 s/27 s. The sensitivities of the synthesized ZnSnO3 nanosheet that in this paper to 100 ppm and 10 ppm acetone gas are 125.444 and 8.37, respectively. In the five-week stability and repeatability test, the sensitivity to 10/100 ppm acetone of sheet-like ZnSnO3 sensor could still maintain at 89.64% and 94.74% of the first test result. This study provides theoretical guidance for the development of acetone gas sensors.
关键词	Acetone Charge transfer Chemical detection Chemical sensors Density functional theory Design for testability Gas detectors Gases Nanosheets Perovskite Tin compounds Acetone gas Density-functional-theory First principle method Gas sensitivity High sensitivity Perovskite type Sensing material Sensing mechanism Sensitivity mechanisms Sensitivity tests
DOI	10.1007/s10853-021-06855-5
收录类别	SCIE ; EI
语种	英语
WOS研究方向	Materials Science
WOS类目	Materials Science, Multidisciplinary
WOS记录号	WOS:000740612600001
出版者	SPRINGER
EI入藏号	20220311463299
EI主题词	Zinc compounds
EI分类号	482.2 Minerals ; 761 Nanotechnology ; 801 Chemistry ; 802.2 Chemical Reactions ; 804.1 Organic Compounds ; 914.1 Accidents and Accident Prevention ; 922.1 Probability Theory ; 931.3 Atomic and Molecular Physics ; 931.4 Quantum Theory ; Quantum Mechanics ; 933 Solid State Physics ; 943.3 Special Purpose Instruments
来源库	WOS
引用统计	被引频次：9[WOS] [WOS记录] [WOS相关记录]
文献类型	期刊论文
条目标识符	https://ir.lut.edu.cn/handle/2XXMBERH/154867
专题	材料科学与工程学院
通讯作者	Jiang, Lili
作者单位	Lanzhou Univ Technol, Sch Mat Sci & Technol, Langongping Rd, Lanzhou 730050, Gansu, Peoples R China
第一作者单位	兰州理工大学
通讯作者单位	兰州理工大学
第一作者的第一单位	兰州理工大学
推荐引用方式 GB/T 7714	Jiang, Lili,Chen, Zhaoyu,Cui, Qi,et al. Experimental and DFT-D3 study of sensitivity and sensing mechanism of ZnSnO3 nanosheets to C3H6O gas[J]. JOURNAL OF MATERIALS SCIENCE,2022,57(5):3231-3251.
APA	Jiang, Lili,Chen, Zhaoyu,Cui, Qi,Xu, Su,&Tang, Fuling.(2022).Experimental and DFT-D3 study of sensitivity and sensing mechanism of ZnSnO3 nanosheets to C3H6O gas.JOURNAL OF MATERIALS SCIENCE,57(5),3231-3251.
MLA	Jiang, Lili,et al."Experimental and DFT-D3 study of sensitivity and sensing mechanism of ZnSnO3 nanosheets to C3H6O gas".JOURNAL OF MATERIALS SCIENCE 57.5(2022):3231-3251.

条目包含的文件		下载所有文件
文件名称/大小	文献类型	版本类型	开放类型	使用许可
Jiang-2022-Experimen（5597KB）	期刊论文	出版稿	开放获取	CC BY-NC-SA	浏览下载