BROWSE

Related Scientist

cmsd's photo.

cmsd
분자분광학및동력학연구단
more info

ITEM VIEW & DOWNLOAD

Revisiting Ultrafast Dynamics in Carbonate-Based Electrolytes for Li-Ion Batteries: Clarifying 2D-IR Cross-Peak Interpretation

DC Field Value Language
dc.contributor.authorChaiho Lim-
dc.contributor.authorJonggu Jeon-
dc.contributor.authorKwanghee Park-
dc.contributor.authorLiang, Chungwen-
dc.contributor.authorYeongseok Chae-
dc.contributor.authorKyungwon Kwak-
dc.contributor.authorMinhaeng Cho-
dc.date.accessioned2024-01-12T22:00:38Z-
dc.date.available2024-01-12T22:00:38Z-
dc.date.created2023-11-28-
dc.date.issued2023-10-
dc.identifier.issn1520-6106-
dc.identifier.urihttps://pr.ibs.re.kr/handle/8788114/14574-
dc.description.abstractUnderstanding chemical exchange in carbonate-based electrolytes employed in Li-ion batteries (LIBs) is crucial for elucidating ion transport mechanisms. Ultrafast two-dimensional (2D) IR spectroscopy has been widely used to investigate the solvation structure and dynamics of Li-ions in organic carbonate-based electrolytes. However, the interpretation of cross-peaks observed in picosecond carbonyl stretch 2D-IR spectra has remained contentious. These cross-peaks could arise from various phenomena, including vibrational couplings between neighboring carbonyl groups in the first solvation shell around Li-ions, vibrational excitation transfers between carbonyl groups in distinct solvation environments, and local heating effects. Therefore, it is imperative to resolve the interpretation of 2D-IR cross-peaks to avoid misinterpretations regarding ultrafast dynamics found in LIB carbonate-based electrolytes. In this study, we have taken a comprehensive investigation of carbonate-based electrolytes utilizing 2D-IR spectroscopy and molecular dynamics (MD) simulations. Through meticulous analyses and interpretations, we have identified that the cross-peaks observed in the picosecond 2D-IR spectra of LIB electrolytes predominantly arise from intermolecular vibrational excitation transfer processes between the carbonyl groups of Li-bound and free carbonate molecules. We further discuss the limitations of employing a picosecond 2D-IR spectroscopic technique to study chemical exchange and intermolecular vibrational excitation transfer processes, particularly when the effects of the molecular photothermal process cannot be ignored. Our findings shed light on the dynamics of LIB electrolytes and resolve the controversy related to 2D-IR cross-peaks. By discerning the origin of these features, we could provide valuable insights for the design and optimization of next-generation Li-ion batteries.-
dc.language영어-
dc.publisherAMER CHEMICAL SOC-
dc.titleRevisiting Ultrafast Dynamics in Carbonate-Based Electrolytes for Li-Ion Batteries: Clarifying 2D-IR Cross-Peak Interpretation-
dc.typeArticle-
dc.type.rimsART-
dc.identifier.wosid001096719500001-
dc.identifier.scopusid2-s2.0-85178177115-
dc.identifier.rimsid82124-
dc.contributor.affiliatedAuthorChaiho Lim-
dc.contributor.affiliatedAuthorJonggu Jeon-
dc.contributor.affiliatedAuthorKwanghee Park-
dc.contributor.affiliatedAuthorYeongseok Chae-
dc.contributor.affiliatedAuthorKyungwon Kwak-
dc.contributor.affiliatedAuthorMinhaeng Cho-
dc.identifier.doi10.1021/acs.jpcb.3c05480-
dc.identifier.bibliographicCitationJOURNAL OF PHYSICAL CHEMISTRY B, v.127, no.44, pp.9566 - 9574-
dc.relation.isPartOfJOURNAL OF PHYSICAL CHEMISTRY B-
dc.citation.titleJOURNAL OF PHYSICAL CHEMISTRY B-
dc.citation.volume127-
dc.citation.number44-
dc.citation.startPage9566-
dc.citation.endPage9574-
dc.type.docTypeArticle-
dc.description.journalClass1-
dc.description.journalClass1-
dc.description.isOpenAccessN-
dc.description.journalRegisteredClassscie-
dc.description.journalRegisteredClassscopus-
dc.relation.journalResearchAreaChemistry-
dc.relation.journalWebOfScienceCategoryChemistry, Physical-
dc.subject.keywordPlusSOLVATION STRUCTURE-
dc.subject.keywordPlusLITHIUM-ION-
dc.subject.keywordPlus2D IR-
dc.subject.keywordPlusHYDROGEN-BOND-
dc.subject.keywordPlusSPECTROSCOPY-
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