Facile migration of potassium ions in a ternary P3-type K0.5[Mn0.8Fe0.1Ni0.1]O2 cathode in rechargeable potassium batteries
DC Field | Value | Language |
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dc.contributor.author | Choi, Ji Ung | - |
dc.contributor.author | Kim, Jongsoon | - |
dc.contributor.author | Jo, Jae Hyeon | - |
dc.contributor.author | Kim, Hee Jae | - |
dc.contributor.author | Jung, Young Hwa | - |
dc.contributor.author | Ahn, Do-Cheon | - |
dc.contributor.author | Sun, Yang-Kook | - |
dc.contributor.author | Myung, Seung-Taek | - |
dc.date.accessioned | 2021-07-30T04:54:48Z | - |
dc.date.available | 2021-07-30T04:54:48Z | - |
dc.date.created | 2021-05-12 | - |
dc.date.issued | 2020-03 | - |
dc.identifier.issn | 2405-8297 | - |
dc.identifier.uri | https://scholarworks.bwise.kr/hanyang/handle/2021.sw.hanyang/2074 | - |
dc.description.abstract | A ternary P3-type K0.5[Mn0.8Fe0.1Ni0.1]O2 material is introduced, herein, as a promising cathode material for K ion batteries. The disadvantages associated with Mn-based layered cathode materials – structural degradation and capacity deterioration – are overcome by the partial replacement of Mn3+ with Fe3+ and Ni2+, which tends to increase the average oxidation state of Mn to 3.75+. First-principles calculation predicts the sequence of redox pairs from Mn3+/4+, Fe3+/4+, and Ni2+/3+ with increasing the operating voltage to 3.9 V K0.5[Mn0.8Fe0.1Ni0.1]O2 exhibits a high reversible discharge capacity (~120 mAh g−1) and excellent structural integrity over 300 cycles (74% capacity retention) between 1.5 – 3.9 V at 50 mA g−1. This outstanding performance of K0.5[Mn0.8Fe0.1Ni0.1]O2 is attributed to the slight structural variation (~4.1%) of its P3–O3 phase transition predicted by the first principles calculation. Surprisingly, the obtained capacity reaches 76 mAh g−1 at a rate of 2.5 A g−1, in which the facile migration of K ions is explained by the low activation energy barrier of ~438 meV predicted by the nudged elastic band (NEB) method. | - |
dc.language | 영어 | - |
dc.language.iso | en | - |
dc.publisher | ELSEVIER | - |
dc.title | Facile migration of potassium ions in a ternary P3-type K0.5[Mn0.8Fe0.1Ni0.1]O2 cathode in rechargeable potassium batteries | - |
dc.type | Article | - |
dc.contributor.affiliatedAuthor | Sun, Yang-Kook | - |
dc.identifier.doi | 10.1016/j.ensm.2019.09.015 | - |
dc.identifier.scopusid | 2-s2.0-85072287787 | - |
dc.identifier.wosid | 000508681700060 | - |
dc.identifier.bibliographicCitation | ENERGY STORAGE MATERIALS, v.25, pp.714 - 723 | - |
dc.relation.isPartOf | ENERGY STORAGE MATERIALS | - |
dc.citation.title | ENERGY STORAGE MATERIALS | - |
dc.citation.volume | 25 | - |
dc.citation.startPage | 714 | - |
dc.citation.endPage | 723 | - |
dc.type.rims | ART | - |
dc.type.docType | Article | - |
dc.description.journalClass | 1 | - |
dc.description.isOpenAccess | N | - |
dc.description.journalRegisteredClass | scie | - |
dc.description.journalRegisteredClass | scopus | - |
dc.relation.journalResearchArea | Chemistry | - |
dc.relation.journalResearchArea | Science & Technology - Other Topics | - |
dc.relation.journalResearchArea | Materials Science | - |
dc.relation.journalWebOfScienceCategory | Chemistry, Physical | - |
dc.relation.journalWebOfScienceCategory | Nanoscience & Nanotechnology | - |
dc.relation.journalWebOfScienceCategory | Materials Science, Multidisciplinary | - |
dc.subject.keywordPlus | SODIUM | - |
dc.subject.keywordPlus | PERFORMANCE | - |
dc.subject.keywordAuthor | Layered | - |
dc.subject.keywordAuthor | First-principles calculation | - |
dc.subject.keywordAuthor | Cathode | - |
dc.subject.keywordAuthor | Potassium | - |
dc.subject.keywordAuthor | Batteries | - |
dc.identifier.url | https://www.sciencedirect.com/science/article/pii/S2405829719309638?via%3Dihub | - |
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