Two-Dimensional Gallium Oxide Monolayer for Gas-Sensing Application
A two-dimensional (2D) Ga2O3 monolayer with an asymmetric quintuple-layer configuration was reported as a novel 2D material with excellent stability and strain tunability. This unusual asymmetrical structure opens up new possibilities for improving the selectivity and sensitivity of gas sensors by u...
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| Published in | The journal of physical chemistry letters Vol. 12; no. 24; pp. 5813 - 5820 |
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| Main Authors | , , , , , , , , , |
| Format | Journal Article |
| Language | English |
| Published |
American Chemical Society
24.06.2021
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| Subjects | |
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| Abstract | A two-dimensional (2D) Ga2O3 monolayer with an asymmetric quintuple-layer configuration was reported as a novel 2D material with excellent stability and strain tunability. This unusual asymmetrical structure opens up new possibilities for improving the selectivity and sensitivity of gas sensors by using selected surface orientations. In this study, the surface adsorptions of nine molecular gases, namely, O2, CO2, CO, SO2, NO2, H2S, NO, NH3, and H2O, on the 2D Ga2O3 monolayer are systematically investigated through first-principles calculations. The intrinsic dipole of the system leads to different adsorption energies and changes in the electronic structures between the top- and bottom-surface adsorptions. Analyses of electronic structures and charge transport calculations indicate a potential application of the 2D Ga2O3 monolayer as a room-temperature NO gas-sensing device with high sensitivity and tunable adsorption energy using plenary strain-induced lattice distortion. |
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| AbstractList | A two-dimensional (2D) Ga2O3 monolayer with an asymmetric quintuple-layer configuration was reported as a novel 2D material with excellent stability and strain tunability. This unusual asymmetrical structure opens up new possibilities for improving the selectivity and sensitivity of gas sensors by using selected surface orientations. In this study, the surface adsorptions of nine molecular gases, namely, O2, CO2, CO, SO2, NO2, H2S, NO, NH3, and H2O, on the 2D Ga2O3 monolayer are systematically investigated through first-principles calculations. The intrinsic dipole of the system leads to different adsorption energies and changes in the electronic structures between the top- and bottom-surface adsorptions. Analyses of electronic structures and charge transport calculations indicate a potential application of the 2D Ga2O3 monolayer as a room-temperature NO gas-sensing device with high sensitivity and tunable adsorption energy using plenary strain-induced lattice distortion. |
| Author | Yin, Yiheng Chen, Xiaolong Mo, Haowen Huang, Xinran Zhang, Zhaofu Hua, Mengyuan Guo, Yuzheng Qian, Qingkai Liao, Yikai Zhao, Junlei |
| AuthorAffiliation | School of Electrical and Automation School of Electrical and Electronic Engineering The Pennsylvania State University Department of Electrical and Electronic Engineering Department of Electrical Engineering Department of Engineering |
| AuthorAffiliation_xml | – name: Department of Electrical and Electronic Engineering – name: School of Electrical and Automation – name: Department of Electrical Engineering – name: School of Electrical and Electronic Engineering – name: Department of Engineering – name: The Pennsylvania State University |
| Author_xml | – sequence: 1 givenname: Junlei orcidid: 0000-0002-4919-2440 surname: Zhao fullname: Zhao, Junlei email: zhaojl@sustech.edu.cn organization: Department of Electrical and Electronic Engineering – sequence: 2 givenname: Xinran surname: Huang fullname: Huang, Xinran organization: Department of Electrical and Electronic Engineering – sequence: 3 givenname: Yiheng orcidid: 0000-0003-1755-4133 surname: Yin fullname: Yin, Yiheng organization: School of Electrical and Automation – sequence: 4 givenname: Yikai surname: Liao fullname: Liao, Yikai organization: School of Electrical and Electronic Engineering – sequence: 5 givenname: Haowen surname: Mo fullname: Mo, Haowen organization: Department of Electrical and Electronic Engineering – sequence: 6 givenname: Qingkai orcidid: 0000-0001-7513-0676 surname: Qian fullname: Qian, Qingkai organization: The Pennsylvania State University – sequence: 7 givenname: Yuzheng orcidid: 0000-0001-9224-3816 surname: Guo fullname: Guo, Yuzheng organization: School of Electrical and Automation – sequence: 8 givenname: Xiaolong surname: Chen fullname: Chen, Xiaolong organization: Department of Electrical and Electronic Engineering – sequence: 9 givenname: Zhaofu surname: Zhang fullname: Zhang, Zhaofu email: zz389@cam.ac.uk organization: Department of Engineering – sequence: 10 givenname: Mengyuan orcidid: 0000-0003-3016-1588 surname: Hua fullname: Hua, Mengyuan email: huamy@sustech.edu.cn organization: Department of Electrical and Electronic Engineering |
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| Title | Two-Dimensional Gallium Oxide Monolayer for Gas-Sensing Application |
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