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68 积分 2026-03-27 加入
Programming curved atomic active sites in carbon dots through curvature-coordination coupling
22天前
已完结
High-throughput screening of TM@B 6 C 6 N 6 single-atom catalysts for electrocatalytic nitrate reduction via DFT and machine learning
1个月前
已完结
Ammonia‐Resistant Carbon‐Encapsulated Cobalt Catalyst for Electrocatalytic Nitrate Reduction to Volatile Ammonia
1个月前
已完结
Thermodynamics-Guided Machine Learning Framework with a Multiobjective Optimizer for Catalyst Discovery
3个月前
已完结
Interpretable machine learning‐assisted high‐throughput screening of highly active nitrogen fixation dual‐atom catalysts
3个月前
已完结
A Band-Matching Descriptor Breaks Scaling Relations for Sulfur Electrocatalysts
3个月前
已完结
Double-Atom Catalysts Featuring Inverse Sandwich Structure for CO2 Reduction Reaction: A Synergetic First-Principles and Machine Learning Investigation
5个月前
已完结
Unique Geometrical and Electronic Properties of TM2B2 Quadruple Active Sites Supported on C2N Monolayer Toward Effective Electrochemical Urea Production
5个月前
已完结
Unraveling the Stability of N‐Doped Graphene Supported Single‐Atom and Dual‐Atom Catalysts From Pourbaix Diagram
5个月前
已完结
Accelerating the Prediction of g‐C 3 N 4 ‐Supported Dual‐Atom Catalysts for Photocatalytic CO 2 Reduction to CO and HCOOH: A Machine Learning and DFT Combined Approach
5个月前
已完结
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