Lv4
540 积分 2025-03-12 加入
Anisotropic electronic and excitonic properties of monolayer SiP2 from the first-principles GW-BSE calculations
12天前
已完结
Anchoring of boron halides BX (X: F, Cl, and Br) on transition metal (M: Cr, Mo, W) carbonyl complexes M(CO)5 (M: Cr, Mo, W): structure, bonding, and energy decomposition studies based on theoretical calculations
16天前
已完结
Halogen-augmented pyrrole bisurea molecular tweezers for corrosion inhibition of Fe(110) surface: A first-principle investigation
24天前
已完结
Electronic properties of hydrogen/fluorine adsorbed two-dimensional C568: A first-principles study
24天前
已完结
Superior selectivity for NO2 in metal oxide (TiO2, NiO, and ZnO) modified Janus ZrSSe monolayer: DFT study
24天前
已完结
The different response in band structures and optical properties induced by spin-orbit coupling in Ba3X2(PO4)4 (X = Sb and Bi): A first-principles investigation
1个月前
已完结
Flat Band and Z2 Topology of Kagome Metal CsTi3Bi5
1个月前
已完结
Two-Dimensional Janus GePAs Monolayer: A Direct-Band-Gap Semiconductor with High and Anisotropic Mobility for Efficient Photocatalytic Water Splitting
2个月前
已完结
Two-Dimensional Janus GePAs Monolayer: A Direct-Band-Gap Semiconductor with High and Anisotropic Mobility for Efficient Photocatalytic Water Splitting
2个月前
已完结
Mexican-hat dispersions and high carrier mobility of γ-SnX (X = O, S, Se, Te) single-layers: a first-principles investigation
3个月前
已完结
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