Ternary Ni-based Prussian blue analogue with superior sodium storage performance induced by synergistic effect of Co and Fe,Carbon Energy

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Ternary Ni-based Prussian blue analogue with superior sodium storage performance induced by synergistic effect of Co and Fe
Carbon Energy ( IF 19.5 ) Pub Date : 2021-8-18 , DOI: 10.1002/cey2.142
Lu‐Lu Zhang ₁ , Cheng Wei _{1,

2} , Xin‐Yuan Fu ₁ , Zhao‐Yao Chen _{1,

2} , Bo Yan ₁ , Pan‐Pan Sun ₂ , Kai‐Jun Chang _{1,

3} , Xue‐Lin Yang ₁

Affiliation

The effect of doping with Co and Fe on the electrochemical performance of Ni¨CPB has been systematically investigated through theoretical calculations and electrochemical performance tests. Density functional theory calculations confirm that double doping with Co and Fe can significantly reduce the energy barrier and bandgap of Ni¨CPB, and promote the migration of Na+ ions and electrons in NiHCF. Therefore, the ternary Ni¨CPB with double doping has superior sodium storage performance.

中文翻译：

Co和Fe协同作用诱导具有优异储钠性能的三元镍基普鲁士蓝类似物

通过理论计算和电化学性能测试，系统地研究了 Co 和 Fe 掺杂对 Ni-CPB 电化学性能的影响。密度泛函理论计算证实，Co和Fe的双重掺杂可以显着降低Ni-CPB的能垒和带隙，促进Na+离子和电子在NiHCF中的迁移。因此，双掺杂的三元Ni-CPB具有优越的储钠性能。

更新日期：2021-09-09

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