BROWSE

Related Scientist

CMSD's photo.

CMSD
분자 분광학 및 동력학 연구단
more info

ITEM VIEW & DOWNLOAD

Why Does Dimethyl Carbonate Dissociate Li Salt Better Than Other Linear Carbonates? Critical Role of Polar Conformers

Cited 0 time in webofscience Cited 0 time in scopus
17 Viewed 0 Downloaded
Title
Why Does Dimethyl Carbonate Dissociate Li Salt Better Than Other Linear Carbonates? Critical Role of Polar Conformers
Author(s)
Lee, Hyejin; Hwang, Sunwook; Minju Kim; Kyungwon Kwak; Lee, Jaeho; Han, Young-Kyu; Lee, Hochun
Subject
ETHYLENE CARBONATE, ; PROPYLENE CARBONATE, ; DIELECTRIC-PROPERTIES, ; TRANSPORT-PROPERTIES, ; ORGANIC CARBONATES, ; IONIC ASSOCIATION, ; MATRIX-ISOLATION, ; LITHIUM, ; DYNAMICS, ; SOLVENT
Publication Date
2020-12-17
Journal
JOURNAL OF PHYSICAL CHEMISTRY LETTERS, v.11, no.24, pp.10382 - 10387
Publisher
AMER CHEMICAL SOC
Abstract
The marked difference in the ionic conductivities of linear carbonate (LC) electrolyte solutions despite their similar viscosities and permittivities is a long-standing puzzle. This study unraveled the critical impact of solvent conformational isomerism on salt dissociation in 0.1-3.0 M LiPF6 dimethyl carbonate (DMC), ethyl methyl carbonate (EMC), and diethyl carbonate (DEC) solutions using Raman and dielectric relaxation spectroscopies. The extent of salt dissociation in the LC solutions, which decreased in the order DMC > EMC > DEC, is closely related to the fraction of polar cis-trans LC conformers, as this conformer participates in Li ion solvation more readily than the nonpolar cis-cis counterpart. Our first-principles calculations corroborated that the cis-trans conformer facilitates free ion formation more than the cis-cis conformer, and the extent of this effect decreased in the order DMC > EMC > DEC. This study provides an avenue for the design of highly conductive electrolytes by exploiting the conformational isomerism of solvent molecules.
URI
https://pr.ibs.re.kr/handle/8788114/9121
DOI
10.1021/acs.jpclett.0c03235
ISSN
1948-7185
Appears in Collections:
Center for Molecular Spectroscopy and Dynamics(분자 분광학 및 동력학 연구단) > 1. Journal Papers (저널논문)
Files in This Item:
There are no files associated with this item.

qrcode

  • facebook

    twitter

  • Items in DSpace are protected by copyright, with all rights reserved, unless otherwise indicated.
해당 아이템을 이메일로 공유하기 원하시면 인증을 거치시기 바랍니다.

Items in DSpace are protected by copyright, with all rights reserved, unless otherwise indicated.

Browse