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Combined Theoretical and Experimental Studies of Sodium Battery Materials
Author(s) -
Watanabe Eriko,
Chung SaiCheong,
Nishimura Shinichi,
Yamada Yuki,
Okubo Masashi,
Sodeyama Keitaro,
Tateyama Yoshitaka,
Yamada Atsuo
Publication year - 2019
Publication title -
the chemical record
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 1.61
H-Index - 78
eISSN - 1528-0691
pISSN - 1527-8999
DOI - 10.1002/tcr.201800125
Subject(s) - battery (electricity) , electrolyte , density functional theory , nanotechnology , chemistry , computer science , materials science , electrode , computational chemistry , power (physics) , thermodynamics , physics
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.