Combined Experimental and Computational Studies of a Na2 Ni1-x Cux Fe(CN)6 Cathode with Tunable Potential for Aqueous Rechargeable Sodium-Ion Batteries.
Herein, potential-tunable Na2 Ni1-x Cux Fe(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 Ni(II) to Cu(II) 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.
New Energy Technology Division, Energy & Environment Research Laboratories (GEL), Industrial Technology Research Institute (ITRI), 195, Sec. 4, Chung Hsing Rd., Chutung, Hsinchu, 31040 (Taiwan). taifeng@itri.org.tw.
Tai-Feng
TF
Hung
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).
Hung-Lung
HL
Chou
New Energy Technology Division, Energy & Environment Research Laboratories (GEL), Industrial Technology Research Institute (ITRI), 195, Sec. 4, Chung Hsing Rd., Chutung, Hsinchu, 31040 (Taiwan).
Yu-Wen
YW
Yeh
New Energy Technology Division, Energy & Environment Research Laboratories (GEL), Industrial Technology Research Institute (ITRI), 195, Sec. 4, Chung Hsing Rd., Chutung, Hsinchu, 31040 (Taiwan).
Wen-Sheng
WS
Chang
New Energy Technology Division, Energy & Environment Research Laboratories (GEL), Industrial Technology Research Institute (ITRI), 195, Sec. 4, Chung Hsing Rd., Chutung, Hsinchu, 31040 (Taiwan).
Chang-Chung
CC
Yang
batteries; charge analysis; co-precipitation; density functional calculations; sodium