The Role of Carbonate and Sulfite Additives in Propylene Carbonate-Based Electrolytes on the Formation of SEI Layers at Graphitic Li-Ion Battery Anodes.
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| Title: | The Role of Carbonate and Sulfite Additives in Propylene Carbonate-Based Electrolytes on the Formation of SEI Layers at Graphitic Li-Ion Battery Anodes. |
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| Authors: | Bhatt, Mahesh Datt1, O'Dwyer, Colm2 c.odwyer@ucc.ie |
| Source: | Journal of The Electrochemical Society. 2014, Vol. 161 Issue 9, pA1415-A1421. 7p. |
| Subjects: | Density functional theory, Battery additives, Chemical decomposition, Anodes |
| Abstract: | Density functional theory (DFT) was used to investigate the effect of electrolyte additives such as vinylene carbonate (VC), vinyl ethylene carbonate (VEC), vinyl ethylene sulfite (VES), and ethylene sulfite (ES) in propylene carbonate (PC)-based Li-ion battery electrolytes on SEI formation at graphitic anodes. The higher desolvation energy of PC limits Li+ intercalation into graphite compared to solvated Li+ in EC. Li+(PC)3 clusters are found to be unstable with graphite intercalation compounds and become structurally deformed, preventing decomposition mechanisms and associated SEI formation in favor of co-intercalation that leads to exfoliation. DFT calculations demonstrate that the reduction decomposition of PC and electrolyte additives is such that the first electron reduction energies scale as ES > VES > VEC >PC. The second electron reduction follows ES > VES > VEC > VC > PC. The reactivity of the additives under consideration follows ES > VES > VEC > VC. The data demonstrate the supportive role of certain additives, particularly sulfites, in PC-based electrolytes for SEI film formation and stable cycling at graphitic carbon-based Li-ion battery anodes without exfoliation or degradation of the anode structure. [ABSTRACT FROM AUTHOR] |
| Copyright of Journal of The Electrochemical Society is the property of IOP Publishing and its content may not be copied or emailed to multiple sites without the copyright holder's express written permission. Additionally, content may not be used with any artificial intelligence tools or machine learning technologies. However, users may print, download, or email articles for individual use. This abstract may be abridged. No warranty is given about the accuracy of the copy. Users should refer to the original published version of the material for the full abstract. (Copyright applies to all Abstracts.) | |
| Database: | Engineering Source |
| FullText | Text: Availability: 0 |
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| Header | DbId: egs DbLabel: Engineering Source An: 97451568 AccessLevel: 6 PubType: Academic Journal PubTypeId: academicJournal PreciseRelevancyScore: 0 |
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| Items | – Name: Title Label: Title Group: Ti Data: The Role of Carbonate and Sulfite Additives in Propylene Carbonate-Based Electrolytes on the Formation of SEI Layers at Graphitic Li-Ion Battery Anodes. – Name: Author Label: Authors Group: Au Data: <searchLink fieldCode="AR" term="%22Bhatt%2C+Mahesh+Datt%22">Bhatt, Mahesh Datt</searchLink><relatesTo>1</relatesTo><br /><searchLink fieldCode="AR" term="%22O'Dwyer%2C+Colm%22">O'Dwyer, Colm</searchLink><relatesTo>2</relatesTo><i> c.odwyer@ucc.ie</i> – Name: TitleSource Label: Source Group: Src Data: <searchLink fieldCode="JN" term="%22Journal+of+The+Electrochemical+Society%22">Journal of The Electrochemical Society</searchLink>. 2014, Vol. 161 Issue 9, pA1415-A1421. 7p. – Name: Subject Label: Subjects Group: Su Data: <searchLink fieldCode="DE" term="%22Density+functional+theory%22">Density functional theory</searchLink><br /><searchLink fieldCode="DE" term="%22Battery+additives%22">Battery additives</searchLink><br /><searchLink fieldCode="DE" term="%22Chemical+decomposition%22">Chemical decomposition</searchLink><br /><searchLink fieldCode="DE" term="%22Anodes%22">Anodes</searchLink> – Name: Abstract Label: Abstract Group: Ab Data: Density functional theory (DFT) was used to investigate the effect of electrolyte additives such as vinylene carbonate (VC), vinyl ethylene carbonate (VEC), vinyl ethylene sulfite (VES), and ethylene sulfite (ES) in propylene carbonate (PC)-based Li-ion battery electrolytes on SEI formation at graphitic anodes. The higher desolvation energy of PC limits Li+ intercalation into graphite compared to solvated Li+ in EC. Li+(PC)3 clusters are found to be unstable with graphite intercalation compounds and become structurally deformed, preventing decomposition mechanisms and associated SEI formation in favor of co-intercalation that leads to exfoliation. DFT calculations demonstrate that the reduction decomposition of PC and electrolyte additives is such that the first electron reduction energies scale as ES > VES > VEC >PC. The second electron reduction follows ES > VES > VEC > VC > PC. The reactivity of the additives under consideration follows ES > VES > VEC > VC. The data demonstrate the supportive role of certain additives, particularly sulfites, in PC-based electrolytes for SEI film formation and stable cycling at graphitic carbon-based Li-ion battery anodes without exfoliation or degradation of the anode structure. [ABSTRACT FROM AUTHOR] – Name: AbstractSuppliedCopyright Label: Group: Ab Data: <i>Copyright of Journal of The Electrochemical Society is the property of IOP Publishing and its content may not be copied or emailed to multiple sites without the copyright holder's express written permission. Additionally, content may not be used with any artificial intelligence tools or machine learning technologies. However, users may print, download, or email articles for individual use. This abstract may be abridged. No warranty is given about the accuracy of the copy. Users should refer to the original published version of the material for the full abstract.</i> (Copyright applies to all Abstracts.) |
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| RecordInfo | BibRecord: BibEntity: Identifiers: – Type: doi Value: 10.1149/2.0931409jes Languages: – Code: eng Text: English PhysicalDescription: Pagination: PageCount: 7 StartPage: A1415 Subjects: – SubjectFull: Density functional theory Type: general – SubjectFull: Battery additives Type: general – SubjectFull: Chemical decomposition Type: general – SubjectFull: Anodes Type: general Titles: – TitleFull: The Role of Carbonate and Sulfite Additives in Propylene Carbonate-Based Electrolytes on the Formation of SEI Layers at Graphitic Li-Ion Battery Anodes. Type: main BibRelationships: HasContributorRelationships: – PersonEntity: Name: NameFull: Bhatt, Mahesh Datt – PersonEntity: Name: NameFull: O'Dwyer, Colm IsPartOfRelationships: – BibEntity: Dates: – D: 01 M: 09 Text: 2014 Type: published Y: 2014 Identifiers: – Type: issn-print Value: 00134651 Numbering: – Type: volume Value: 161 – Type: issue Value: 9 Titles: – TitleFull: Journal of The Electrochemical Society Type: main |
| ResultId | 1 |
