@article{76018db93d554157bbba475bac3953e9,
title = "Combined Theoretical and Experimental Studies of Sodium Battery Materials",
abstract = "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.",
keywords = "DFT, MD, Na-ion battery, electrode, electrolyte",
author = "Eriko Watanabe and Chung, {Sai Cheong} and Nishimura, {Shin ichi} and Yuki Yamada and Masashi Okubo and Keitaro Sodeyama and Yoshitaka Tateyama and Atsuo Yamada",
note = "Funding Information: We acknowledge the financial supports from the Ministry of Education, Culture, Sports, Science and Technology (MEXT), Japan; the Grant-in-Aid for Specially Promoted Research No. 15H05701 and “Elemental Strategy Initiative for Catalysts and Batteries (ESICB)” as well as “Priority Issue (No. 5) on Post K computer”. The calculations were performed using the SGI Rackable C2112-4GP3/C1102-GP8 (Reedbush-U/H/L), Fujitsu FX10 in the Information Technology Center and Supercomputer Center from Institute for Solid State Physics, The University of Tokyo, as well as the K computer at RIKEN, partly through the HPCI System Projects (Project ID: hp180101, hp180091 etc.).. Funding Information: We acknowledge the financial supports from the Ministry of Education, Culture, Sports, Science and Technology (MEXT), Japan; the Grant-in-Aid for Specially Promoted Research No. 15H05701 and “Elemental Strategy Initiative for Catalysts and Batteries (ESICB)” as well as “Priority Issue (No. 5) on Post K computer”. The calculations were performed using the SGI Rackable C2112-4GP3/C1102-GP8 (Reedbush-U/H/L), Fujitsu FX10 in the Information Technology Center and Supercomputer Center from Institute for Solid State Physics, The University of Tokyo, as well as the K computer at RIKEN, partly through the HPCI System Projects (Project ID: hp180101, hp180091 etc.). Publisher Copyright: {\textcopyright} 2019 The Chemical Society of Japan & Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim",
year = "2019",
month = apr,
doi = "10.1002/tcr.201800125",
language = "English",
volume = "19",
pages = "792--798",
journal = "Chemical Record",
issn = "1527-8999",
publisher = "John Wiley and Sons Inc.",
number = "4",
}