Lv5
1388 积分 2023-12-11 加入
Anion‐Driven d – p Orbital Hybridization in Na 3.12 Fe 2.44 (P 2 O 7 ) 2 for High‐Performance Sodium‐Ion Batteries
12小时前
待确认
Molecular-Level Engineering of Organic-Modified Cu(100) for Tailored Selectivity in CO 2 Electroreduction
1天前
待确认
Ab initio molecular dynamics simulation reveals the influence of entropy effect on Co@BEA zeolite-catalyzed dehydrogenation of ethane
11天前
已完结
Machine Learning Molecular Dynamics Shows Anomalous Entropic Effect on Catalysis through Surface Pre‐melting of Nanoclusters
12天前
已完结
Ab initio molecular dynamics simulation reveals the influence of entropy effect on Co@BEA zeolite-catalyzed dehydrogenation of ethane
12天前
已完结
Resolving Activation Entropy of CO Oxidation under the Solid–Gas and Solid–Liquid Conditions from Machine Learning Simulation
13天前
已完结
Comprehensive Mechanism of CO2 Electroreduction toward Ethylene and Ethanol: The Solvent Effect from Explicit Water–Cu(100) Interface Models
13天前
已完结
Weakened Interfacial Hydrogen Bond Connectivity Drives Selective Photocatalytic Water Oxidation toward H2O2 at Water/Brookite-TiO2 Interface
15天前
已完结
Unifying the Cation Effects in Alkaline Hydrogen Evolution Reaction through Atomistic Simulations
16天前
已完结
Activation energy for a model ferrous-ferric half reaction from transition path sampling
16天前
已完结
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