Lv5
866 积分 2025-03-21 加入
Defect graph neural networks for materials discovery in high-temperature clean-energy applications
9小时前
待确认
Screening of Material Defects using Universal Machine‐Learning Interatomic Potentials
9小时前
待确认
Energy Band Engineering Guided Design of Bidirectional Catalyst for Reversible Li–CO2 Batteries
5天前
已完结
Theoretical study of p-block metal–nitrogen–carbon single-atom catalysts for heterogeneous Fenton-like reaction
5天前
已完结
Facet-dependent structure and dissociation of water at pristine IrO2/water interfaces
20天前
已完结
General reactive element-based machine learning potentials for heterogeneous catalysis
1个月前
已完结
Molybdenum based 2D conductive Metal–Organic frameworks as efficient single-atom electrocatalysts for N2 reduction: A density functional theory study
1个月前
已完结
Two-Dimensional Metal–Organic TM 3 (HITP) 2 Monolayers as Promising Bifunctional Single-Atom Electrocatalysts for the Nitrogen Reduction Reaction and Hydrogen Evolution Reaction
1个月前
已完结
Boosting the Electrocatalytic Nitrogen Reduction Reaction Activity on Two-Dimensional Conductive Metal–Organic Frameworks: A Theoretical Study
1个月前
已完结
Mo3(C6X6)2 (X = NH,S,O) monolayers: two-dimensional conductive metal–organic frameworks as effective electrocatalysts for the nitrogen reduction reaction
1个月前
已完结
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