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Updated: Jan 19, 2026

Imine Metathesis by Silica-Supported Catalysts Using the Methodology of Surface Organometallic Chemistry
Published on: October 18, 2019
Concentration-Diversified Magnetic and Electronic Properties of Halogen-Adsorbed Silicene
Duy Khanh Nguyen1,2, Ngoc Thanh Thuy Tran3, Yu-Huang Chiu4
1Laboratory of Applied Physics, Advanced Institute of Materials Science, Ton Duc Thang University, Ho Chi Minh City, Vietnam. nguyenduykhanh@tdtu.edu.vn.
Abstract:
Diverse magnetic and electronic properties of halogen-adsorbed silicene are investigated by the first-principle theoretical framework, including the adatom-diversified geometric structures, atom-dominated energy bands, spatial spin density distributions, spatial charge density distributions and its variations, and orbital-projected density of states. Also, such physical quantities are sufficient to identify similar and different features in the double-side and single-side adsorptions. The former belongs to the concentration-depended finite gap semiconductors or p-type metals, while the latter display the valence energy bands with/without spin-splitting intersecting with the Fermi level. Both adsorption types show the halogen-related weakly dispersed bands at deep energies, the adatom-modified middle-energy σ bands, and the recovery of low-energy π bands during the decrease of the halogen concentrations. Such feature-rich band structures can be verified by the angle-resolved photoemission spectroscopy experiment.
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