4.8 Article

High-power rhombohedral-Fe2(SO4)3 with outstanding cycle-performance as Fe-based cathode for K-ion batteries

期刊

ENERGY STORAGE MATERIALS
卷 33, 期 -, 页码 276-282

出版社

ELSEVIER
DOI: 10.1016/j.ensm.2020.08.024

关键词

K-ion batteries; Rhombohedral-Fe-2(SO4)(3); Cathode; High power-capability; First principle calculations

资金

  1. National Research Foundation of Korea - Ministry of Science and ICT of Korea [NRF-2019M3D1A2104105, NRF-2020M3H4A1A03084256, NRF-2020M2D8A2070870]
  2. Global Research Development Center (GRDC) program of the National Research Foundation of Korea [NRF-2018K1A4A3A01064272]
  3. Supercomputing Center in Korea Institute of Science and Technology Information [KSC-2019-CRE-0215]
  4. National Research Foundation of Korea [2019M3D1A2104105, 2020M2D8A2070870, 2020M3H4A1A03084256] Funding Source: Korea Institute of Science & Technology Information (KISTI), National Science & Technology Information Service (NTIS)

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We report rhombohedral-Fe-2(SO4)(3) as a promising cathode material for potassium-ion batteries. Detailed structure information for rhombohedral-Fe-2(SO4)(3) was obtained using X-ray diffraction with Rietveld refinement. Based on the structural information, possible atomic sites for K ions and ion diffusion pathway in the structure were determined using bond-valence energy landscape analyses. At C/20 (1C = 112 mA g(-1)), rhombohedral-KxFe2(SO4)(3) delivered a specific capacity of similar to 100 mAh g(-1) an average operation voltage of similar to 3.3 V (vs. K+/K), corresponding to reversible de/intercalation of similar to 1.78 mol K+ ions. Moreover, even at 5C, rhombohedral-KxFe2(SO4)(3) exhibited capacity retention of similar to 80% of the capacity measured at C/20, indicating the outstanding powercapability. After 300 cycles at 2C, rhombohedral-KxFe2(SO4)(3) maintained similar to 83% of its initial specific capacity with high Coulombic efficiency of more than 99%. Operando XRD analyses revealed that the XRD peaks of rhombohedral KxFe2(SO4)(3) monotonously shifted during K+ de/intercalation, indicating a single phase reaction. First-principles calculation confirmed the good agreement between the theoretical properties of rhombohedral-KxFe2(SO4)(3) and the experimental results, including the average operation voltage, power-capability, and phase reaction.

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