The adsorption of toxic gas molecules (CO, CO2, NO2) on silicene, germanene and stanene: A first principles study
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The adsorption of toxic gas molecules on Xenes (X = Si, Ge, Sn) has been studied by density functional theory (DFT). The optimized adsorption site of the adsorbates (CO, CO2, NO2) on Xenes (X = Si, Ge, Sn), the corresponding adsorption energies, band gap, band structure, and density of states of silicene, germanene, and stanene are discussed.
Nội dung trích xuất từ tài liệu:
The adsorption of toxic gas molecules (CO, CO2, NO2) on silicene, germanene and stanene: A first principles study
Nội dung trích xuất từ tài liệu:
The adsorption of toxic gas molecules (CO, CO2, NO2) on silicene, germanene and stanene: A first principles study
Tìm kiếm theo từ khóa liên quan:
Theoretical physics community worldwide Toxic gas molecules Density functional theory Corresponding adsorption energies Band gap Band structureTài liệu có liên quan:
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