First-Principles Study of SnS for Small Gas-Sensing Applications

被引:0
作者
Chiahsiang Hung
Yuncai Jiang
Shuangying Lei
Ran Gao
Xuwen Tao
机构
[1] Southeast University,Key Laboratory of Microelectromechanical Systems of the Ministry of Education
来源
Journal of Electronic Materials | 2024年 / 53卷
关键词
First-principles; SnS; gas adsorption; sensor;
D O I
暂无
中图分类号
学科分类号
摘要
Two-dimensional SnS holds significant potential in gas-sensing because of its numerous excellent characteristics. Based on first-principles density functional theory (DFT), the adsorption properties of small gas molecules such as NO2, SO2, and NO on SnS have been thoroughly investigated. The results indicate that SnS can effectively adsorb NO2, SO2, and NO gases, attributed to their higher adsorption energies. Differing from the case of SO2 adsorption, SnS undergoes a transition from a non-magnetic state to a magnetic state upon the adsorption of NO2 and NO gases. To investigate the sensing characteristics of these three adsorption systems, the adsorption densities and I–V curves were calculated using a thermodynamic statistical model and the nonequilibrium Green’s function method, respectively. These findings demonstrate that NO2 adsorption not only exhibits the highest adsorption densities but also generates the maximum current at the same voltage. These results highlight the potential of SnS for serving as a selective and reversible NO2 gas sensor.
引用
收藏
页码:622 / 630
页数:8
相关论文
共 248 条
  • [1] Xiaowen Yu(2017)Graphene-based smart materials Nat. Rev. Mater. 2 17046-undefined
  • [2] Cheng H(2011)First principles study of structural, vibrational and electronic properties of graphene-like MX Phys. B Condens. Matter 406 2254-undefined
  • [3] Zhang M(2020) (M=Mo, Nb, W, Ta; X=S, Se, Te) monolayers Rep. Prog. Phys. 83 6109-undefined
  • [4] Zhao Y(2014)First-principles calculations of charge carrier mobility and conductivity in bulk semiconductors and two-dimensional materials Nano Lett. 14 213-undefined
  • [5] Liangti Qu(2010)Thermal conductivity of graphene and graphite: collective excitations and mean free paths J. Appl. Phys. 108 44-undefined
  • [6] Shi G(2010)First-principles study of metal-graphene interfaces J. Phys. Condens. Matter 22 651-undefined
  • [7] Ding Yi(2018)Interface structure and mechanics between graphene and metal substrates: a first-principles study Microchim. Acta 185 25272-undefined
  • [8] Wang Y(2015)A review on chemiresistive room temperature gas sensors based on metal oxide nanostructures, graphene and 2D transition metal dichalcogenides Prog. Mater. Sci. 73 4033-undefined
  • [9] Ni J(2015)Recent development in 2D materials beyond graphene Electronics 4 992-undefined
  • [10] Shi L(2014)Two-dimensional materials for sensing: graphene and beyond J. Phys. Chem. C 118 046801-undefined