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638 积分 2025-09-03 加入
A DFT+U study on the structural, electronic, magnetic, and optical properties of Fe and Co co-doped CuO
1天前
待确认
A DFT+U study on the structural, electronic, magnetic, and optical properties of Fe and Co co-doped CuO
14天前
已完结
Construction and Sampling of Alloy Cluster Expansions—A Tutorial
22天前
已完结
Fundamental understanding of oxygen vacancy energetics in rocksalt Mg(CuNiCoZn)O high entropy oxide from DFT and experiments
25天前
已完结
Effects of local compositional and structural disorder on vacancy formation in entropy-stabilized oxides from first-principles
25天前
已完结
Single-atom Sn-Zn pairs in CuO catalyst promote dimethyldichlorosilane synthesis
29天前
已完结
BMach: a Bayesian machine for optimizing Hubbard U parameters in DFT+U with machine learning
1个月前
已完结
Adaptive Anderson mixing for electronic structure calculations
1个月前
已完结
A DFT+U study on the structural, electronic, magnetic, and optical properties of Fe and Co co-doped CuO
1个月前
已完结
Influence of Zn dopant on electronic structure, magnetic, and optical properties of CuO: a density functional theory study
1个月前
已完结
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