Combined Theoretical and Experimental Studies of Sodium Battery Materials
Combined Theoretical and Experimental Studies of Sodium Battery Materials
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钠电池材料的理论与实验结合研究
DOI：
10.1002/tcr.201800125
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发表时间：
2019
期刊：
影响因子：
--
通讯作者：
Yamada Atsuo
中科院分区：
文献类型：
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作者：
Watanabe Eriko;Chung Sai-Cheong;Nishimura Shin-ichi;Yamada Yuki;Okubo Masashi;Sodeyama Keitaro;Tateyama Yoshitaka;Yamada Atsuo
由于理论化学和计算机能力的发展，计算和实验的结合现在是理解和开发电池系统新材料的标准做法。本文简要回顾了近年来基于密度泛函理论和分子动力学计算的钠离子电池电极和电解质材料的研究进展。这些发现代表了实验和理论方法成功结合的案例研究。
Owing to developments in theoretical chemistry and computer power, the combination of calculations and experiments is now standard practice in understanding and developing new materials for battery systems. Here, we briefly review our recent combined studies based on density functional theory and molecular dynamics calculations for electrode and electrolyte materials for sodium‐ion batteries. These findings represent case studies of successful combinations of experimental and theoretical methods.