DC FieldValueLanguage
dc.contributor.authorMercer, Michael-
dc.contributor.authorPeng, Chao-
dc.contributor.authorSoares, Cindy-
dc.contributor.authorHoster, Harry-
dc.contributor.authorKramer, Denis-
dc.date.accessioned2022-05-06T08:25:40Z-
dc.date.available2022-05-06T08:25:40Z-
dc.date.issued2020-11-27-
dc.identifier.issn2050-7488-
dc.description.abstractCell voltage is a fundamental quantity used to monitor and control Li-ion batteries. The open cir- cuit voltage (OCV) is of particular interest as it is believed to be a thermodynamic quantity, free of kinetic effects and history and, therefore, “simple” to interpret. Here we show that the OCV characteristics of graphite show hysteresis between charge and discharge that do not solely orig- inate from Li dynamics and that the OCV is in fact history dependent. Combining First-Principles calculations with temperature-controlled electrochemical measurements, we identify a residual hysteresis that persists even at elevated temperatures of greater than 50 degC due to differences in the phase succession between charge and discharge. Experimental entropy profiling, as well as energies and volume changes determined from First-Principles calculations, suggest that the residual hysteresis is associated with different host lattice stackings of carbon and is related to Li disorder across planes in stage II configurations.de_DE
dc.description.sponsorshipComputational Material Designde_DE
dc.language.isoende_DE
dc.publisherRoyal Society of Chemistryde_DE
dc.relation.ispartofJournal of materials chemistry Ade_DE
dc.subject.ddcDDC::500 Naturwissenschaften und Mathematik::540 Chemie::541 Physikalische Chemiede_DE
dc.titleVoltage hysteresis during lithiation/delithiation of graphite associated with meta-stable carbon stackingsde_DE
dc.typeArticlede_DE
dc.identifier.doi10.1039/D0TA10403E-
dcterms.bibliographicCitation.volume9de_DE
dcterms.bibliographicCitation.issue1de_DE
dcterms.bibliographicCitation.pagestart492de_DE
dcterms.bibliographicCitation.pageend504de_DE
dcterms.bibliographicCitation.originalpublisherplaceLondon [u.a.]de_DE
local.submission.typeonly-metadatade_DE
dc.description.peerReviewedYesde_DE
dc.type.articleScientific Articlede_DE
item.languageiso639-1en-
item.fulltext_sNo Fulltext-
item.fulltextNo Fulltext-
item.openairetypeArticle-
item.grantfulltextnone-
crisitem.author.deptComputational Material Design-
crisitem.author.parentorgFakultät für Maschinenbau und Bauingenieurwesen-
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