- Material design and mechanism study for zinc ion batteries: Applications of density functional theory calculations and molecular dynamic simulations
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- 发表时间: 2024-08-20
- 发表刊物: Chemical Engineering Journal
- 卷号: 494
- ISSN号: 1385-8947
- 关键字: Additives; Anodes; Cathodes; Computational chemistry; Computation theory; Density-functional-theory; Density-functional theory calculations; Design for testability; Design studies; Dynamics; Dynamics simulation; Electrolytes; Energy storage; Ion batteries; Ions; Material science; Materials design; Molecular dynamics; Molecular dynamic simulation; Secondary batteries; Zinc; Zinc-ion battery; Zinc ions