Please use this identifier to cite or link to this item:
http://hdl.handle.net/10397/107046
DC Field | Value | Language |
---|---|---|
dc.contributor | Department of Industrial and Systems Engineering | en_US |
dc.contributor | Department of Applied Physics | en_US |
dc.contributor | Research Institute for Smart Energy | en_US |
dc.creator | Yi, Y | en_US |
dc.creator | Xing, Y | en_US |
dc.creator | Wang, H | en_US |
dc.creator | Zeng, Z | en_US |
dc.creator | Sun, Z | en_US |
dc.creator | Li, R | en_US |
dc.creator | Lin, H | en_US |
dc.creator | Ma, Y | en_US |
dc.creator | Pu, X | en_US |
dc.creator | Li, MMJ | en_US |
dc.creator | Park, KY | en_US |
dc.creator | Xu, ZL | en_US |
dc.date.accessioned | 2024-06-11T08:09:52Z | - |
dc.date.available | 2024-06-11T08:09:52Z | - |
dc.identifier.issn | 1433-7851 | en_US |
dc.identifier.uri | http://hdl.handle.net/10397/107046 | - |
dc.language.iso | en | en_US |
dc.publisher | Wiley-VCH | en_US |
dc.rights | © 2024 The Authors. Angewandte Chemie International Editionpublished by Wiley-VCH GmbH. This is an open access article underthe terms of the Creative Commons Attribution Non-Commercial License (https://creativecommons.org/licenses/by-nc/4.0/), which permits use, distribution and reproduction in anymedium, provided the original work is properly cited and is not usedfor commercial purposes. | en_US |
dc.rights | The following publication Y. Yi, Y. Xing, H. Wang, Z. Zeng, Z. Sun, R. Li, H. Lin, Y. Ma, X. Pu, M. M.-J. Li, K.-Y. Park, Z.-L. Xu, Angew. Chem. Int. Ed. 2024, 63, e202317177 is available at https://doi.org/10.1002/anie.202317177. | en_US |
dc.subject | Anions | en_US |
dc.subject | Ca-ion storage | en_US |
dc.subject | First principles calculation | en_US |
dc.subject | Graphite anode | en_US |
dc.subject | Solvation structure | en_US |
dc.title | Deciphering anion-modulated solvation structure for calcium intercalation into graphite for Ca-Ion batteries | en_US |
dc.type | Journal/Magazine Article | en_US |
dc.identifier.volume | 63 | en_US |
dc.identifier.issue | 24 | en_US |
dc.identifier.doi | 10.1002/anie.202317177 | en_US |
dcterms.abstract | Co-intercalation reactions make graphite a feasible anode in Ca ion batteries, yet the correlation between Ca ion intercalation behaviors and electrolyte structure remains unclear. This study, for the first time, elucidates the pivotal role of anions in modulating the Ca ion solvation structures and their subsequent intercalation into graphite. Specifically, the electrostatic interactions between Ca ion and anions govern the configurations of solvated-Ca-ion in dimethylacetamide-based electrolytes and graphite intercalation compounds. Among the anions considered (BH4−, ClO4−, TFSI− and [B(hfip)4]−), the coordination of four solvent molecules per Ca ion (CN=4) leads to the highest reversible capacities and the fastest reaction kinetics in graphite. Our study illuminates the origins of the distinct Ca ion intercalation behaviors across various anion-modulated electrolytes, employing a blend of experimental and theoretical approaches. Importantly, the practical viability of graphite anodes in Ca-ion full cells is confirmed, showing significant promise for advanced energy storage systems. | en_US |
dcterms.accessRights | open access | en_US |
dcterms.bibliographicCitation | Angewandte chemie international edition, 10 June 2024, v. 63, no. 24, e202317177 | en_US |
dcterms.isPartOf | Angewandte chemie international edition | en_US |
dcterms.issued | 2024-06-10 | - |
dc.identifier.scopus | 2-s2.0-85192052407 | - |
dc.identifier.eissn | 1521-3773 | en_US |
dc.identifier.artn | e202317177 | en_US |
dc.description.validate | 202406 bcwh | en_US |
dc.description.oa | Version of Record | en_US |
dc.identifier.FolderNumber | OA_TA | - |
dc.description.fundingSource | RGC | en_US |
dc.description.fundingSource | Others | en_US |
dc.description.fundingText | Department of Science and Technology of Guangdong Province; Shenzhen Municipal Science and Technology Innovation Commission; the Hong Kong Polytechnic University | en_US |
dc.description.pubStatus | Published | en_US |
dc.description.TA | Wiley (2024) | en_US |
dc.description.oaCategory | TA | en_US |
Appears in Collections: | Journal/Magazine Article |
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File | Description | Size | Format | |
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Yi_Deciphering_Anion‐Modulated_Solvation.pdf | 833.48 kB | Adobe PDF | View/Open |
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