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المؤلفPark, Chan Sun
المؤلفKim, Heejin
المؤلفShakoor, Rana A.
المؤلفYang, Eunjeong
المؤلفLim, Soo Yeon
المؤلفKahraman, Ramazan
المؤلفJung, Yousung
المؤلفChoi, Jang Wook
تاريخ الإتاحة2022-10-05T07:23:08Z
تاريخ النشر2013
اسم المنشورJournal of the American Chemical Society
المصدرScopus
معرّف المصادر الموحدhttp://dx.doi.org/10.1021/ja312044k
معرّف المصادر الموحدhttp://hdl.handle.net/10576/34862
الملخصSodium 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.
اللغةen
الموضوعBatteries
Kinetics
Materials
Redox reactions
Transition metals
العنوانAnomalous manganese activation of a pyrophosphate cathode in sodium ion batteries: A combined experimental and theoretical study
النوعArticle
الصفحات2787-2792
رقم العدد7
رقم المجلد135
dc.accessType Open Access


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