Full metadata record
DC Field | Value | Language |
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dc.contributor.author | Cho, Haneol | - |
dc.contributor.author | Son, Hyunsu | - |
dc.contributor.author | Kim, Donghun | - |
dc.contributor.author | Lee, Minho | - |
dc.contributor.author | Boateng, Samuel | - |
dc.contributor.author | Han, HyukSu | - |
dc.contributor.author | Kim, Kang Min | - |
dc.contributor.author | Kim, Seungchul | - |
dc.contributor.author | Choi, Heechae | - |
dc.contributor.author | Song, Taeseup | - |
dc.contributor.author | Lee, Kyu Hwan | - |
dc.date.accessioned | 2024-01-20T01:02:27Z | - |
dc.date.available | 2024-01-20T01:02:27Z | - |
dc.date.created | 2021-09-04 | - |
dc.date.issued | 2017-07-20 | - |
dc.identifier.issn | 1932-7447 | - |
dc.identifier.uri | https://pubs.kist.re.kr/handle/201004/122514 | - |
dc.description.abstract | Li4Ti5O12 (LTO) has attracted tremendous attention as a stationary Li-ion battery anode material due to its excellent stability. However, the poor rate capability caused by the low electrical conductivity limits its practical use. Previously, Mg-doping in LTO has been used to improve the electrical conductivity and electrochemical properties, but the Mg-doped LTO system generally exhibits large anomalies in the electrical properties and capacities, which limits the reliable mass-production of engineered LTO. In this study, on the basis of first-principles calculations and related experiments, we systematically study the effects of charge-compensating point defects of the Mg-doped LTO on the electrical properties. A combination of first-principles calculations with thermodynamic modeling shows that high-temperature annealing under reducing conditions could effectively alter the Mg-doping site from a Ti4+ to Li+ site and increase the electrical conductivity significantly due to reduced electron effective mass and increased carrier concentration. Mg-doped LTO annealed under reducing condition exhibits a significantly improved rate compared capability with that of LTO annealed under air condition. The theoretical-analysis-associated experimental results provide more general design guidelines for the preparation of doped LTO with the promise of further improvements in performance. | - |
dc.language | English | - |
dc.publisher | American Chemical Society | - |
dc.subject | DOPED LI4TI5O12 | - |
dc.subject | ELECTROCHEMICAL PERFORMANCE | - |
dc.subject | COMPUTATIONAL PREDICTIONS | - |
dc.subject | LITHIUM BATTERIES | - |
dc.subject | DIFFUSION | - |
dc.subject | INSERTION | - |
dc.subject | DEFECTS | - |
dc.subject | STORAGE | - |
dc.subject | CARBON | - |
dc.title | Impact of Mg-Doping Site Control in the Performance of Li4Ti5O12 Li-Ion Battery Anode: First-Principles Predictions and Experimental Verifications | - |
dc.type | Article | - |
dc.identifier.doi | 10.1021/acs.jpcc.7b01475 | - |
dc.description.journalClass | 1 | - |
dc.identifier.bibliographicCitation | The Journal of Physical Chemistry C, v.121, no.28, pp.14994 - 15001 | - |
dc.citation.title | The Journal of Physical Chemistry C | - |
dc.citation.volume | 121 | - |
dc.citation.number | 28 | - |
dc.citation.startPage | 14994 | - |
dc.citation.endPage | 15001 | - |
dc.description.journalRegisteredClass | scie | - |
dc.description.journalRegisteredClass | scopus | - |
dc.identifier.wosid | 000406355700002 | - |
dc.identifier.scopusid | 2-s2.0-85025461154 | - |
dc.relation.journalWebOfScienceCategory | Chemistry, Physical | - |
dc.relation.journalWebOfScienceCategory | Nanoscience & Nanotechnology | - |
dc.relation.journalWebOfScienceCategory | Materials Science, Multidisciplinary | - |
dc.relation.journalResearchArea | Chemistry | - |
dc.relation.journalResearchArea | Science & Technology - Other Topics | - |
dc.relation.journalResearchArea | Materials Science | - |
dc.type.docType | Article | - |
dc.subject.keywordPlus | DOPED LI4TI5O12 | - |
dc.subject.keywordPlus | ELECTROCHEMICAL PERFORMANCE | - |
dc.subject.keywordPlus | COMPUTATIONAL PREDICTIONS | - |
dc.subject.keywordPlus | LITHIUM BATTERIES | - |
dc.subject.keywordPlus | DIFFUSION | - |
dc.subject.keywordPlus | INSERTION | - |
dc.subject.keywordPlus | DEFECTS | - |
dc.subject.keywordPlus | STORAGE | - |
dc.subject.keywordPlus | CARBON | - |
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