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
刊名	JOURNAL OF MATERIALS SCIENCE
	2022-02-01
卷号	57 期号:5 页码:3231-3251
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
ISSN号	0022-2461
DOI	10.1007/s10853-021-06855-5
英文摘要	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.
WOS研究方向	Materials Science
语种	英语
出版者	SPRINGER
WOS记录号	WOS:000740612600001
内容类型	期刊论文
源URL	[http://ir.lut.edu.cn/handle/2XXMBERH/154867]
专题	材料科学与工程学院
作者单位	Lanzhou Univ Technol, Sch Mat Sci & Technol, Langongping Rd, Lanzhou 730050, Gansu, Peoples R China
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.