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124 积分 2024-12-31 加入
Probe Type II Band Alignment in One-Dimensional Van Der Waals Heterostructures Using First-Principles Calculations
16分钟前
求助中
First-principles study on the mechanical and electronic properties of energetic silver-based molecular perovskite
20分钟前
求助中
Structural and Electronic Properties of Bulk ZnX (X = O, S, Se, Te), ZnF2, and ZnO/ZnF2: A DFT Investigation within PBE, PBE + U, and Hybrid HSE Functionals
25分钟前
已完结
First-principles study on the half-metallic properties of the VA group atoms adsorbed on WS2 monolayer
3个月前
已完结
Spin-polarised DFT study of the structural stability and half-metallicity of RbN in the CsCl, rocksalt and zinc-blende structures
3个月前
已完结
Influence of Cr- and Co-Doped CaO on Adsorption Properties: DFT Study
3个月前
已完结
Mixed valence nature of the Ce4fstate inCeCo5based on spin-polarizedDFT+DMFTcalculations
3个月前
已完结
Large-scale spin-polarized DFT calculation of electronic properties of GaAs with defects
3个月前
已完结
Adsorption and Potential CO Gas-Sensing Performance of the Fe-Doped Ti2CO2-MXenes: A First-Principles Study
4个月前
已完结
Quantum capacitance behavior of Ti2CO2/MoS2 heterostructures with 3d and 4d transition-metal doping
4个月前
已完结
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