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Doping-induced polymorph transformation to boost ultrafast sodium storage in hierarchical CoSe2-carbon arrays
Materials Today Energy ( IF 9.3 ) Pub Date : 2021-01-02 , DOI: 10.1016/j.mtener.2020.100631
W. Li , Z. Liu , H. Yang , Z. Wang , Z. Chen , P. Liang , J. Wang , X. Shen

Transition metal dichalcogenides (TMDs) are regarded as the most potential candidates of anode materials for sodium-ion batteries (SIBs) owing to their high theoretical capacity, while the sluggish kinetics and huge volume variation that are accompanied by sodium-ion insertion/extraction cause inferior electrochemical performance. Herein, a P-doping-induced polymorph transformation strategy is proposed to modulate the electronic structure of CoSe2 anode toward fast sodium storage. Density functional theory (DFT) calculations verify the unique effect of doping-induced polymorph engineering on modulating the electronic structure of CoSe2. Therefore, due to the optimal electronic structure, improved ionic diffusion kinetics, and numerous exposure of reactive sites from hierarchical arrays, the P-CoSe2/NC anode exhibits impressive rate capability (459 mA h g−1 at 2 A g−1) when used as an anode for SIBs. Our doping-induced polymorph engineering may be applicable to other advanced electrodes toward energy storage applications.



中文翻译:

掺杂诱导的多晶型物转变以提高分层CoSe 2-碳阵列中的超快钠存储

过渡金属二硫化碳(TMDs)由于其高理论容量而被认为是钠离子电池(SIBs)负极材料的最有可能的候选物,而动力学缓慢和巨大的体积变化伴随着钠离子的插入/引出原因电化学性能差。在本文中,提出了一种P掺杂诱导的多晶型物转变策略,以调节CoSe 2阳极的电子结构,使其快速地储存钠。密度泛函理论(DFT)计算证明了掺杂诱导的多晶型工程对调制CoSe 2电子结构的独特作用。因此,由于最佳的电子结构,提高了离子的扩散动力学,和从分层阵列的反应位点的众多曝光时,P-COSE 2 / NC阳极表现出惊人的速度能力(459毫安ħ克-1以2A克-1)时用作SIB的阳极。我们的掺杂诱导多晶型工程可能适用于其他先进的电极,用于能量存储应用。

更新日期:2021-02-21
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