DC Field | Value | Language |
---|---|---|
dc.contributor.author | Park, Chan Sun | ko |
dc.contributor.author | Kim, Heejin | ko |
dc.contributor.author | Shakoor, Rana A. | ko |
dc.contributor.author | Yang, Eunjeong | ko |
dc.contributor.author | Lim, Soo Yeon | ko |
dc.contributor.author | Kahraman, Ramazan | ko |
dc.contributor.author | Jung, Yousung | ko |
dc.contributor.author | Choi, Jang Wook | ko |
dc.date.accessioned | 2013-06-07T08:02:37Z | - |
dc.date.available | 2013-06-07T08:02:37Z | - |
dc.date.created | 2013-04-09 | - |
dc.date.created | 2013-04-09 | - |
dc.date.created | 2013-04-09 | - |
dc.date.issued | 2013-02 | - |
dc.identifier.citation | JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, v.135, no.7, pp.2787 - 2792 | - |
dc.identifier.issn | 0002-7863 | - |
dc.identifier.uri | http://hdl.handle.net/10203/173824 | - |
dc.description.abstract | Sodium ion batteries (SIBs) have many advantages such as the low price and abundance of sodium raw materials that are suitable for large-scale energy storage applications. Herein, we report an Mn-based pyrophosphate, Na2MnP2O7, as a new SIB cathode material. Unlike most Mn-based cathode materials, which suffer severely from sluggish kinetics, Na2MnP2O7 exhibits good electrochemical activity at similar to 3.8 V vs Na/Na+ with a reversible capacity of 90 mAh g(-1) at room temperature. It also shows an excellent cycling and rate performance: 96% capacity retention after 30 cycles and 70% capacity retention at a c-rate increase from 0.05C to 1C. These electrochemical activities of the Mn-containing cathode material even at room temperature with relatively large particle sizes are remarkable considering an almost complete inactivity of the Li counterpart, Li2MnP2O7. Using first-principles calculations, we find that the significantly enhanced kinetics of Na2MnP2O7 is mainly due to the locally flexible accommodation of Jahn-Teller distortions aided by the corner-sharing crystal structure in triclinic Na2MnP2O7. By contrast, in monoclinic Li2MnP2O7, the edge-sharing geometry causes multiple bonds to be broken and formed during charging reaction with a large degree of atomic rearrangements. We expect that the similar computational strategy to analyze the atomic rearrangements can be used to predict the kinetics behavior when exploring new cathode candidates. | - |
dc.language | English | - |
dc.publisher | AMER CHEMICAL SOC | - |
dc.title | Anomalous Manganese Activation of a Pyrophosphate Cathode in Sodium Ion Batteries: A Combined Experimental and Theoretical Study | - |
dc.type | Article | - |
dc.identifier.wosid | 000315373000058 | - |
dc.identifier.scopusid | 2-s2.0-84874044687 | - |
dc.type.rims | ART | - |
dc.citation.volume | 135 | - |
dc.citation.issue | 7 | - |
dc.citation.beginningpage | 2787 | - |
dc.citation.endingpage | 2792 | - |
dc.citation.publicationname | JOURNAL OF THE AMERICAN CHEMICAL SOCIETY | - |
dc.identifier.doi | 10.1021/ja312044k | - |
dc.contributor.localauthor | Jung, Yousung | - |
dc.contributor.localauthor | Choi, Jang Wook | - |
dc.contributor.nonIdAuthor | Shakoor, Rana A. | - |
dc.contributor.nonIdAuthor | Kahraman, Ramazan | - |
dc.description.isOpenAccess | N | - |
dc.type.journalArticle | Article | - |
dc.subject.keywordPlus | LITHIUM-ION | - |
dc.subject.keywordPlus | IRON PYROPHOSPHATE | - |
dc.subject.keywordPlus | AB-INITIO | - |
dc.subject.keywordPlus | STABILITY | - |
dc.subject.keywordPlus | NA2COP2O7 | - |
dc.subject.keywordPlus | MN | - |
dc.subject.keywordPlus | FE | - |
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