Abstract
SnS monolayer has sparked intensive attention due to its unique electronic and optical properties. We systemically investigate the electronic properties of SnS by first-principles calculation. Our results show that the monolayer possesses indirect bandgap. We further perform mechanical strain to adjust the electronic structure of SnS, corresponding results display an indirect-direct transition of band gap when subjected to proper external strain. Interestingly, the bandgap can be linearly increase under tensile strain from 0% to 7%, while the bandgap reduced under compressive strain. For biaxial strain, the band gap changes more remarkable compared with that under uniaxial strain (zigzag x or armchair y direction). Furthermore, we demonstrate that the gas molecules (CO2, H2S, C2H4 and NO2) adsorption property on SnS monolayer can be modulated through biaxial strain. Especially, the NO2 adsorption is further enhanced on the SnS monolayer under biaxial tensile strain. These results may provide guidance for fabricating SnS-based strained gas sensor.
Original language | English |
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Title of host publication | Proceedings - 2018 19th International Conference on Electronic Packaging Technology, ICEPT 2018 |
Editors | F. Xiao, J. Wang, L. Chen, T. Ye |
Place of Publication | Piscataway, NJ |
Publisher | IEEE |
Pages | 941-943 |
Number of pages | 3 |
ISBN (Electronic) | 978-1-5386-6386-8 |
ISBN (Print) | 978-1-5386-6387-5 |
DOIs | |
Publication status | Published - 2 Oct 2018 |
Event | ICEPT 2018: 19th International Conference on Electronic Packaging Technology - Shanghai, China Duration: 8 Aug 2018 → 11 Aug 2018 Conference number: 19 |
Conference
Conference | ICEPT 2018 |
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Country/Territory | China |
City | Shanghai |
Period | 8/08/18 → 11/08/18 |
Keywords
- first-principle
- gas sensors
- SnS
- strain