Two-Dimensional Gallium Oxide Monolayer for Gas-Sensing Application

Zhao, Junlei1; Huang, Xinran1; Yin, Yiheng2; Liao, Yikai3; Mo, Haowen1; Qian, Qingkai4; Guo, Yuzheng2; Chen, Xiaolong1; Zhang, Zhaofu5; Hua, Mengyuan1

2021-06-24

10.1021/acs.jpclett.1c01393

Journal of Physical Chemistry Letters   影响因子和分区

1948-7185

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, O-2, 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.

SCI ; EI

英语

NI期刊

第一 ; 通讯

National Natural Science Foundation of China[61904078] ; High-Level University Fund["G02236002","G02236005"]

Chemistry ; Science & Technology - Other Topics ; Materials Science ; Physics

Chemistry, Physical ; Nanoscience & Nanotechnology ; Materials Science, Multidisciplinary ; Physics, Atomic, Molecular & Chemical

WOS:000668352300025

AMER CHEMICAL SOC

20212910640630

Ammonia ; Calculations ; Chemical detection ; Electronic structure ; Gas detectors ; Gas sensing electrodes ; Hydrogen sulfide ; Monolayers ; Sulfur dioxide

Chemistry:801 ; Inorganic Compounds:804.2 ; Accidents and Accident Prevention:914.1 ; Mathematics:921

Web of Science

1.Southern Univ Sci & Technol, Dept Elect & Elect Engn, Shenzhen 518055, Peoples R China
2.Wuhan Univ, Sch Elect & Automat, Wuhan 430072, Hubei, Peoples R China
3.Nanyang Technol Univ, Sch Elect & Elect Engn, Singapore 639798, Singapore
4.Penn State Univ, Dept Elect Engn, University Pk, PA 16802 USA
5.Univ Cambridge, Dept Engn, Cambridge CB2 1PZ, England

Zhao, Junlei,Huang, Xinran,Yin, Yiheng,et al. Two-Dimensional Gallium Oxide Monolayer for Gas-Sensing Application[J]. Journal of Physical Chemistry Letters,2021,12(24):5813-5820.

Zhao, Junlei.,Huang, Xinran.,Yin, Yiheng.,Liao, Yikai.,Mo, Haowen.,...&Hua, Mengyuan.(2021).Two-Dimensional Gallium Oxide Monolayer for Gas-Sensing Application.Journal of Physical Chemistry Letters,12(24),5813-5820.

Zhao, Junlei,et al."Two-Dimensional Gallium Oxide Monolayer for Gas-Sensing Application".Journal of Physical Chemistry Letters 12.24(2021):5813-5820.