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AuthorPark, Chan Sun
AuthorKim, Heejin
AuthorShakoor, Rana A.
AuthorYang, Eunjeong
AuthorLim, Soo Yeon
AuthorKahraman, Ramazan
AuthorJung, Yousung
AuthorChoi, Jang Wook
Available date2022-10-05T07:23:08Z
Publication Date2013
Publication NameJournal of the American Chemical Society
ResourceScopus
URIhttp://dx.doi.org/10.1021/ja312044k
URIhttp://hdl.handle.net/10576/34862
AbstractSodium 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 ∼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.
Languageen
SubjectBatteries
Kinetics
Materials
Redox reactions
Transition metals
TitleAnomalous manganese activation of a pyrophosphate cathode in sodium ion batteries: A combined experimental and theoretical study
TypeArticle
Pagination2787-2792
Issue Number7
Volume Number135
dc.accessType Open Access


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