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20 积分 2025-12-16 加入
Data-Driven Design of Asymmetric, Fluorine-Free Ethers for High-Voltage Lithium-Metal Batteries under Extreme Conditions
15天前
已完结
Predicting Electrolyte Redox Potential Trends through Long-Range Electrostatics and Configuration Ensembles: Insights from MD and QM/MM Simulations
1个月前
已完结
Molecular design of electrolyte additives for aqueous zinc-ion batteries via reinforcement learning and quantum chemistry calculations
1个月前
已完结
Reusability report: Exploring the utility and extensibility of an integrated modelling framework for liquid electrolyte design
2个月前
已完结
Electrolyte additives for Li-ion batteries: classification by elements
2个月前
已完结
Water-In-Salt LiTFSI Aqueous Electrolytes (2): Transport Properties and Li+ Dynamics Based on Molecular Dynamics Simulations
2个月前
已完结
Structure and dynamics of water-in-salt LiTFSI electrolytes from first-principles molecular dynamics simulations
2个月前
已完结
Electrolyte Dependence of Li+ Transport Mechanisms in Small Molecule Solvents from Classical Molecular Dynamics
2个月前
已完结
Magnesium Alloys for Sustainable Weight-Saving Approach: A Brief Market Overview, New Trends, and Perspectives
8个月前
已关闭
A DFT study on the mechanism of HCl and CO2 capture by CaO
10个月前
已完结
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