Combined Theoretical and Experimental Studies of Sodium Battery Materials

Eriko Watanabe, Sai Cheong Chung, Shin ichi Nishimura, Yuki Yamada, Masashi Okubo, Keitaro Sodeyama, Yoshitaka Tateyama, Atsuo Yamada*

*Corresponding author for this work

Research output: Contribution to journalArticlepeer-review

14 Citations (Scopus)


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.

Original languageEnglish
Pages (from-to)792-798
Number of pages7
JournalChemical Record
Issue number4
Publication statusPublished - 2019 Apr
Externally publishedYes


  • DFT
  • MD
  • Na-ion battery
  • electrode
  • electrolyte

ASJC Scopus subject areas

  • Chemistry(all)
  • Biochemistry
  • Chemical Engineering(all)
  • Materials Chemistry


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