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• W4313334778 endingPage "156226" @default.
• W4313334778 startingPage "156226" @default.
• W4313334778 abstract "The exploitation of highly sensitive, power-efficient, robust and recoverable gas sensing devices has become a key tool for the detection of toxic gases in the environment. In this work, we theoretically elucidate the electronic properties of the BC5 monolayer and the gas-sensitive performance of the BC5-based gas sensor for organic and inorganic gases using density functional theory and non-equilibrium Green’s function method. The results indicate that SO2, CH4, and CH3OH are physisorption, whereas CO, NH3, NO, NO2, C2H2, C2H4 and HCHO are chemisorption on the BC5 monolayer. Then, the transport properties of the BC5-based nanodevice are sensitive to the adsorption of CO, NH3, NO, NO2, C2H2, C2H4 and HCHO, hence the BC5 monolayer can be used to construct the gas sensor for detecting these gas molecules. In addition, the pristine BC5-based nanodevice shows a strong anisotropic transport properties under low bias voltages (Vb), and the ratio of the maximum anisotropy is 1.94 when Vb is 0.1 V. In the meantime, the BC5-based gas sensor is more sensitive to CO and HCHO with the gas sensitivity reaching 1.76 and 2.56 at the bias of 0.1 V along the zigzag direction, respectively. Finally, the microscopic mechanisms of inorganic and organic gas molecules adsorbed on the BC5-based gas sensor are systematically revealed by presenting the respective scattering states at Fermi level. All these theoretical predictions might trigger a new avenue to expand the application of fresh carbon based nano-materials in designing next generation gas sensing devices." @default.
• W4313334778 created "2023-01-06" @default.
• W4313334778 creator A5025707846 @default.
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• W4313334778 date "2023-04-01" @default.
• W4313334778 modified "2023-10-18" @default.
• W4313334778 title "Unveiling adsorption characteristics of BC5 monolayer: High electronic anisotropy and gas sensing performance" @default.
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• W4313334778 doi "https://doi.org/10.1016/j.apsusc.2022.156226" @default.
• W4313334778 hasPublicationYear "2023" @default.
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