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40 积分 2025-09-11 加入
Tailoring Mechanical Stability and Electronic Structure in TiNiSn-Based Half-Heusler Alloys via Sn-Site Doping: A DFT Study
1小时前
已完结
A New Half-Projection-Based Treatment for Wave Function Optimization Within the Unrestricted Doubly Occupied Configuration Interaction Framework
1小时前
已完结
The electrochemical CO2 reduction reaction on TM–C3N5 for C1 products: a DFT study
3个月前
已完结
Promoting the conversion of CO2 to CH4via synergistic dual active sites
3个月前
已完结
Si-doped C3N monolayers as efficient single-atom catalysts for the reduction of N2O: a computational study
3个月前
已完结
Si-doped C3N monolayers as efficient single-atom catalysts for the reduction of N2O: a computational study
3个月前
已关闭
First-Principles Calculations for S-Doped Mo2C Monolayer As Anode for Magnesium-Ion Batteries
5个月前
已完结
Structure and Properties of the Lithium Bis(fluorosulfonyl)imide (LiFSI) in Sulfolane. Molecular Dynamics Simulation
5个月前
已完结
Structure and Properties of the Lithium Bis(fluorosulfonyl)imide (LiFSI) in Sulfolane. Molecular Dynamics Simulation
5个月前
已完结
Unveiling the Active Site of Metal-Free Nitrogen-doped Carbon for Electrocatalytic Carbon Dioxide Reduction
6个月前
已完结
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