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Solvation Structure around Li+Ions in Organic Carbonate Electrolytes: Spacer-Free Thin Cell IR Spectroscopy

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Title
Solvation Structure around Li+Ions in Organic Carbonate Electrolytes: Spacer-Free Thin Cell IR Spectroscopy
Author(s)
Chaiho Lim; Joo Hyun Kim; Chae, Yeongseok; Lee, Kyung-Koo; Kyungwon Kwak; Minhaeng Cho
Publication Date
2021-09-21
Journal
Analytical Chemistry, v.93, no.37, pp.12594 - 12601
Publisher
American Chemical Society
Abstract
© 2021 American Chemical Society.Organic carbonate electrolytes are widely used materials for lithium-ion batteries. However, detailed solvation structures and solvent coordination numbers (CNs) of lithium cations in such solutions have not been accurately described nor determined yet. Because transmission-type IR spectroscopy is not of use for measuring the carbonyl stretch modes of electrolytes due to their absorption saturation problem, we here show that simple spacer-free thin cell IR spectroscopy can provide quantitative information on the number of solvating carbonate molecules around each lithium ion. We could estimate the solvent (carbonate) CNs of lithium ions in dimethyl carbonate, ethyl methyl carbonate, diethyl carbonate, propylene carbonate, and butylene carbonate over a wide range of lithium salt concentrations accurately, and they are compared with the previous results obtained with attenuated total reflection IR spectroscopy technique. We anticipate that our spacer-free thin cell approach will potentially be used to investigate the solvation dynamics, chemical exchange process, and vibrational energy transfers between solvating carbonate molecules in lithium salt electrolytes when combined with time-resolved IR spectroscopy.
URI
https://pr.ibs.re.kr/handle/8788114/10453
DOI
10.1021/acs.analchem.1c02127
ISSN
0003-2700
Appears in Collections:
Center for Molecular Spectroscopy and Dynamics(분자 분광학 및 동력학 연구단) > 1. Journal Papers (저널논문)
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