화학공학소재연구정보센터
학회 한국재료학회
학술대회 2014년 가을 (11/27 ~ 11/28, 대전컨벤션센터)
권호 20권 2호
발표분야 C. 에너지/환경 재료(Energy and Environmental Materials)
제목 Family of High-Performance Cathode Materials for Na-ion Batteries, Na3(VO1−xPO4)2F1+2x (0 ≤ x ≤ 1): Combined First-Principles and Experimental Study
초록 Room-temperature Na-ion batteries (NIBs) have recently attracted attention as potential alternatives to current Li-ion batteries (LIBs). The natural abundance of sodium and the similarity between the electrochemical properties of NIBs and LIBs make NIBs well suited for applications requiring low cost and long-term reliability. Here, the first successful synthesis of a series of Na3(VO1−xPO4)2F1+2x (0 ≤ x ≤ 1) compounds as a new family of high-performance cathode materials for NIBs is reported. The Na3(VO1−xPO4)2F1+2x series can function as high-performance cathodes for NIBs with high energy density and good cycle life, although the redox mechanism varies depending on the composition. The combined fi rst-principles calculations and experimental analysis reveal the detailed structural and electrochemical mechanisms of the various compositions in solid solutions of Na3(VOPO4)2F and Na3V2(PO4)2F3. The comparative data for the Nay(VO1−xPO4)2F1+2x electrodes show a clear relationship among V3+/V4+/V5+ redox reactions, Na+−Na+ interactions, and Na+ intercalation mechanisms in NIBs. The new family of high-energy cathode materials reported here is expected to spur the development of low-cost, high-performance NIBs.
저자 박영욱1, 서동화1, 김형섭1, 김종순1, 이성수2, 김병국3, 강기석1
소속 1서울대, 2한국원자력(연), 3한국과학기술원
키워드 Na-ion batteries; cathode materials; fluorophosphates; first-principle calculations; multi-electron redox reaction
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