SnSe monolayer

A promising candidate of SO 2 sensor with high adsorption quantity

Journal article (2019)

Authors

H. Ye Electronic Components, Technology and Materials - EEMCS , Chongqing University
L. Liu Chongqing University
Yixin Xu Chongqing University, Guilin University of Electronic Technology
Lingyun Wang Affiliated Hospital of Guizhou Medical University, Guiyang
Xianping Chen Chongqing University
Kai Zhang Guangdong University of Technology
Yufei Liu Chongqing University
S.W. Koh Huawei Technologies
Kouchi Zhang Electronic Components, Technology and Materials - EEMCS
Research Group
Electronic Components, Technology and Materials (EEMCS) (TU Delft)
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Published Date

2019

Language

English

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Faculty

Electrical Engineering, Mathematics and Computer Science

Department

Microelectronics

Research Group

Electronic Components, Technology and Materials

Abstract


Recently, the application of phosphorene structure analogues in gas sensors has been a hot research topic since the appearance of phosphorene. SnSe monolayer as one of them has been proved to be much more stable properties than phosphorene. Based on the density-functional theory, the interaction between gas molecules (CO, CO
2
, O
2
, NO, NH
3
, SO
2
and NO
2
) and SnSe monolayer are theoretically investigated by first-principles calculation. Macroscopically, gas molecules selective adsorption of SnSe monolayer is analyzed by molecular dynamics. Compared to CO, CO
2
, O
2
, SnSe monolayer performs stronger affinity for SO
2
and NO
2
, which possesses appropriate adsorption energies (−6.000 eV and −0.759 eV) and elevated charge transfers (−0.239 e and −0.328 e). SnSe monolayer chemical adsorption of NO
2
, while physically adsorbing SO
2
, is more suitable for the adsorption mode of SO
2
sensors. Surprisingly, the adsorption amount of SO
2
is 6 times that of NO
2
. Therefore, the adsorption of SO
2
is more likely to occur compared to other gas molecules. For a mixed environment of SO
2
and NO
2
, the adsorption quantity of SO
2
is not significantly affected, while the adsorption of NO
2
is inhibited. Therefore, the SnSe monolayer could be a promising candidate as SO
2
sensors with high selectivity and sensitivity.

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