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38 积分 2025-10-15 加入
DFT insights into doping and oxygen vacancy effects on CO and CO₂ adsorptions over CuAl2O4 spinel surfaces
3天前
已完结
Role of Ni-Co bimetals in CaCr2O4 catalysts for dry reforming of methane: Promotion in coke resistance
3天前
已完结
A DFT study on the active surfaces of the ZnGa2O4 spinel catalyst for CO2 hydrogenation to methanol
16天前
已完结
Cation rearrangement at tetrahedral sites in the Cu/ZnAl2O4 spinel enhancing CO2 hydrogenation to methanol
16天前
已完结
Spin-polarized binuclear transition metal doping on g-C₃N₄ for photocatalytic CO₂ reduction to C2 products: A DFT study
1个月前
已完结
Machine learning and DFT-assisted design of A2B2X6 2D materials for photocatalytic CO2 reduction
1个月前
已完结
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