A Family of High-Performance Cathode Materials for Na-ion Batteries, Na3(VO1−xPO4)2 F1+2x (0 ≤ x ≤ 1): Combined First-Principles and Experimental Study
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 cos...
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| Published in | Advanced functional materials Vol. 24; no. 29; pp. 4603 - 4614 |
|---|---|
| Main Authors | , , , , , , |
| Format | Journal Article |
| Language | English |
| Published |
Blackwell Publishing Ltd
06.08.2014
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| Subjects | |
| Online Access | Get full text |
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| Abstract | 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−x
PO4)2F1+2x
(0 ≤ x ≤ 1) compounds as a new family of high‐performance cathode materials for NIBs is reported. The Na3(VO1−x
PO4)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 first‐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 Na
y
(VO1−x
PO4)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.
A full solid solution of Na3(VO1−x
PO4)2F1+2x
(0 ≤ x ≤ 1) compounds as a promising cathode group for Na‐ion batteries is introduced. A systematic study using a combined theoretical and experimental approach explains the electrochemical properties of the Na
y
(VO1−x
PO4)2F1+2x
electrodes and reveals their reaction mechanism in terms of V3+/V4+/V5+ redox reactions, the effect of fluorine, and Na+−Na+ interactions. |
|---|---|
| AbstractList | 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−x
PO4)2F1+2x
(0 ≤ x ≤ 1) compounds as a new family of high‐performance cathode materials for NIBs is reported. The Na3(VO1−x
PO4)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 first‐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 Na
y
(VO1−x
PO4)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.
A full solid solution of Na3(VO1−x
PO4)2F1+2x
(0 ≤ x ≤ 1) compounds as a promising cathode group for Na‐ion batteries is introduced. A systematic study using a combined theoretical and experimental approach explains the electrochemical properties of the Na
y
(VO1−x
PO4)2F1+2x
electrodes and reveals their reaction mechanism in terms of V3+/V4+/V5+ redox reactions, the effect of fluorine, and Na+−Na+ interactions. |
| Author | Lee, Seongsu Kim, Jongsoon Kim, Byoungkook Seo, Dong-Hwa Park, Young-Uk Kang, Kisuk Kim, Hyungsub |
| Author_xml | – sequence: 1 givenname: Young-Uk surname: Park fullname: Park, Young-Uk organization: Department of Materials Science and Engineering, Seoul National University, 1 Gwanak-ro, Gwanak-gu, 151-742, Seoul, Republic of Korea – sequence: 2 givenname: Dong-Hwa surname: Seo fullname: Seo, Dong-Hwa organization: Department of Materials Science and Engineering, Seoul National University, 1 Gwanak-ro, Gwanak-gu, 151-742, Seoul, Republic of Korea – sequence: 3 givenname: Hyungsub surname: Kim fullname: Kim, Hyungsub organization: Department of Materials Science and Engineering, Seoul National University, 1 Gwanak-ro, Gwanak-gu, 151-742, Seoul, Republic of Korea – sequence: 4 givenname: Jongsoon surname: Kim fullname: Kim, Jongsoon organization: Department of Materials Science and Engineering, Seoul National University, 1 Gwanak-ro, Gwanak-gu, 151-742, Seoul, Republic of Korea – sequence: 5 givenname: Seongsu surname: Lee fullname: Lee, Seongsu organization: Korea Atomic Energy Research Institute, P.O. Box 105, 305-600, Daejeon, Republic of Korea – sequence: 6 givenname: Byoungkook surname: Kim fullname: Kim, Byoungkook organization: Analysis Center for Research Advancement, Korea Advanced Institute of Science and Technology (KAIST), 291 Daehak-ro, Yuseong-gu, 305-701, Daejeon, Republic of Korea – sequence: 7 givenname: Kisuk surname: Kang fullname: Kang, Kisuk email: matlgen1@snu.ac.kr organization: Department of Materials Science and Engineering, Seoul National University, 1 Gwanak-ro, Gwanak-gu, 151-742, Seoul, Republic of Korea |
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| Snippet | Room‐temperature Na‐ion batteries (NIBs) have recently attracted attention as potential alternatives to current Li‐ion batteries (LIBs). The natural abundance... |
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| SubjectTerms | cathode materials first-principle calculations fluorophosphates Na-ion batteries sodium |
| Title | A Family of High-Performance Cathode Materials for Na-ion Batteries, Na3(VO1−xPO4)2 F1+2x (0 ≤ x ≤ 1): Combined First-Principles and Experimental Study |
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