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DC Field | Value | Language |
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dc.citation.startPage | 131072 | - |
dc.citation.title | CHEMICAL ENGINEERING JOURNAL | - |
dc.citation.volume | 428 | - |
dc.contributor.author | Chandra, Christian | - |
dc.contributor.author | Devina, Winda | - |
dc.contributor.author | Cahyadi, Handi Setiadi | - |
dc.contributor.author | Kwak, Sang Kyu | - |
dc.contributor.author | Kim, Jaehoon | - |
dc.date.accessioned | 2023-12-21T14:45:16Z | - |
dc.date.available | 2023-12-21T14:45:16Z | - |
dc.date.created | 2021-08-31 | - |
dc.date.issued | 2022-01 | - |
dc.description.abstract | The use of silicon oxycarbides (SiOCs) as anode materials in lithium-ion batteries and sodium-ion batteries has risen considerably in recent years. However, the amorphous and complex structures of SiOCs that contains C-rich and O-rich SiOC phases make it difficult to clarify Li+- and Na+-ion storage mechanisms experimentally. This study uncovers the Li+, Na+-, and K+-ion storage mechanisms in both the O-rich SiO1.5C0.5 and C-rich SiO0.5C1.5 structures using the density functional theory. The ions inserted at the initial discharge process fill the microvoids in the SiOCs. A further ion insertion causes Si-O and Si-C bond cleavage, and thus results in the formation of a large-size free volume, which is favorable for subsequent ion insertion. The reasons for the high Li+-ion storage capacity as compared to Na+-ion are less severe volume expansion, more favorable formation of Li-rich Si compounds and Li-Si alloys. The theoretical K+-ion storage capacities in the O-rich SiO1.5C0.5 and C-rich SiO0.5C1.5 phases are much lower (335 and 186 mAh g(-1), respectively) than those of Li+-ion (519 and 681 mAh g(-1), respectively) and Na+-ion storages (335 and 681 mAh g(-1), respectively). The huge structural instability caused by the repulsive interaction between the K+ ions results in the low storage capacity. | - |
dc.identifier.bibliographicCitation | CHEMICAL ENGINEERING JOURNAL, v.428, pp.131072 | - |
dc.identifier.doi | 10.1016/j.cej.2021.131072 | - |
dc.identifier.issn | 1385-8947 | - |
dc.identifier.scopusid | 2-s2.0-85111341141 | - |
dc.identifier.uri | https://scholarworks.unist.ac.kr/handle/201301/53847 | - |
dc.identifier.url | https://www.sciencedirect.com/science/article/pii/S1385894721026541?via%3Dihub | - |
dc.identifier.wosid | 000724701100003 | - |
dc.language | 영어 | - |
dc.publisher | Elsevier BV | - |
dc.title | Understanding lithium, sodium, and potassium storage mechanisms in silicon oxycarbide | - |
dc.type | Article | - |
dc.description.isOpenAccess | FALSE | - |
dc.relation.journalWebOfScienceCategory | Engineering, Environmental; Engineering, Chemical | - |
dc.relation.journalResearchArea | Engineering | - |
dc.type.docType | Article | - |
dc.description.journalRegisteredClass | scie | - |
dc.description.journalRegisteredClass | scopus | - |
dc.subject.keywordAuthor | Silicon oxycarbideIon storage mechanism Batteries Volume expansion Density functional theory | - |
dc.subject.keywordPlus | PERFORMANCE ANODE MATERIALION BATTERIESCARBON COMPOSITEK-IONCAPABILITYSIINSERTIONOIL | - |
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