Combined Experimental and Computational Studies of a Na2Ni1−xCuxFe(CN)6 Cathode with Tunable Potential for Aqueous Rechargeable Sodium‐Ion Batteries |
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| Authors: | Dr Tai‐Feng Hung Dr Hung‐Lung Chou Yu‐Wen Yeh Dr Wen‐Sheng Chang Dr Chang‐Chung Yang |
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| Institution: | 1. New Energy Technology Division, Energy & Environment Research Laboratories (GEL), Industrial Technology Research Institute (ITRI), 195, Sec. 4, Chung Hsing Rd., Chutung, Hsinchu, 31040 (Taiwan);2. Graduate Institute of Applied Science and Technology, National Taiwan University of Science and Technology, 43, Sec. 4, Keelung Rd., Da'an Dist., Taipei 106 (Taiwan) |
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| Abstract: | Herein, potential‐tunable Na2Ni1?xCuxFe(CN)6 nanoparticles with three‐dimensional frameworks and large interstitial spaces were synthesized as alternative cathode materials for aqueous sodium‐ion batteries by controlling the molar ratio of NiII to CuII at ambient temperature. The influence of the value of x on the crystalline structure, lattice parameters, electrochemical properties, and charge transfer of the resultant compound was explored by using powder X‐ray diffractometry, density functional theory, cyclic voltammetry, galvanostatic charge–discharge techniques, and Bader charge analysis. Of the various formulations investigated, that with x=0.25 delivered the highest reversible capacity, superior rate capability, and outstanding cycling performance. These attributes are ascribed to its unique face‐centered cubic structure for facile sodium‐ion insertion/extraction and the strong interactions between Cu and N atoms, which promote structural stability. |
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| Keywords: | batteries charge analysis co‐precipitation density functional calculations sodium |
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