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10 积分 2025-08-07 加入
Data-driven discovery of single-atom catalysts for CO2 reduction considering the pH-dependency at the reversible hydrogen electrode scale
1个月前
已完结
Frontispiece: Divergent Activity Shifts of Tin‐Based Catalysts for Electrochemical CO2 Reduction: pH‐Dependent Behavior of Single‐Atom Versus Polyatomic Structures
1个月前
已完结
Towards superior CO2RR catalysts: Deciphering the selectivity puzzle over dual-atom catalyst
1个月前
已完结
Identifying and Analyzing Intermolecular Bonding Interactions in van der Waals Molecules
3个月前
已完结
Understanding the CO2 Reduction Selectivity toward Ethanol on Single Atom Doped Cu/Cu2O Catalysts: Insights from Bader Charge as a Descriptor
5个月前
已完结
Generalized Gradient Approximation Made Simple
6个月前
已完结
Meta-generalized gradient approximation for the exchange-correlation hole with an application to the jellium surface energy
6个月前
已完结
The Chemical Bond at the Bottom of the Periodic Table: The Case of the Heavy Astatine and the Super‐Heavy Tennessine
6个月前
已完结
Support cooperative single atoms on Ti3−xC2Oy for efficient electrochemical CO2 reduction: a DFT study
6个月前
已完结
Theoretical surface science and catalysis—calculations and concepts
6个月前
已完结
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