TY - JOUR
T1 - Theoretical analysis of interactions between potassium ions and organic electrolyte solvents
T2 - A comparison with lithium, sodium, and magnesium ions
AU - Okoshi, Masaki
AU - Yamada, Yuki
AU - Komaba, Shinichi
AU - Yamada, Atsuo
AU - Nakai, Hiromi
N1 - Funding Information:
Some of the present calculations were performed at the Research Center for Computational Science (RCCS), Okazaki Research Facilities, National Institutes of Natural Sciences (NINS). This study was supported in part by the “Elements Strategy Initiative for Catalysts & Batteries (ESICB)” project supported by the Ministry of Education, Culture, Sports, Science, and Technology (MEXT), Japan.
Publisher Copyright:
© 2016 The Electrochemical Society. All rights reserved.
PY - 2017
Y1 - 2017
N2 - Ion–solvent interactions play a crucial role in secondary battery systems: the desolvation of ions at an electrode/electrolyte interface can be the rate-determining step of a battery reaction, for instance. The present theoretical study investigates the interactions between K ions and organic electrolyte solvents for application in non-aqueous K-ion batteries, which have recently drawn interest as novel rechargeable batteries. Compared to Li, Na, and Mg ions, K ions display the lowest interaction energy, reflecting the large ionic radius and weak Lewis acidity of K. The weak interaction of K ions with solvents is consistent with the high rate capability exhibited by K-ion batteries and the relatively low solubility of K-ion salts observed experimentally.
AB - Ion–solvent interactions play a crucial role in secondary battery systems: the desolvation of ions at an electrode/electrolyte interface can be the rate-determining step of a battery reaction, for instance. The present theoretical study investigates the interactions between K ions and organic electrolyte solvents for application in non-aqueous K-ion batteries, which have recently drawn interest as novel rechargeable batteries. Compared to Li, Na, and Mg ions, K ions display the lowest interaction energy, reflecting the large ionic radius and weak Lewis acidity of K. The weak interaction of K ions with solvents is consistent with the high rate capability exhibited by K-ion batteries and the relatively low solubility of K-ion salts observed experimentally.
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U2 - 10.1149/2.0211702jes
DO - 10.1149/2.0211702jes
M3 - Article
AN - SCOPUS:85020033292
SN - 0013-4651
VL - 164
SP - A54-A60
JO - Journal of the Electrochemical Society
JF - Journal of the Electrochemical Society
IS - 2
ER -
