NMR Evidence for the Multielectron Reaction Mechanism of Na3V2(PO4)(3) Cathode and the Impact of Polyanion Site Substitution
文献类型：期刊论文
| 作者 | Qiu, Qing1; Li, Chao1; Liu, Hui1; Liao, Yuxin1; Zhao, Chong1; Geng, Fushan1; Shen, Ming1; Li, Jingxin2; Tong, Wei2 ; Hu, Bingwen1
|
| 刊名 | JOURNAL OF PHYSICAL CHEMISTRY C
 |
| 出版日期 | 2021-07-22 |
| 卷号 | 125 |
| ISSN号 | 1932-7447 |
| DOI | 10.1021/acs.jpcc.1c04099 |
| 通讯作者 | Li, Chao(lchao@phy.ecnu.edu.cn) ; Hu, Bingwen(bwhu@phy.ecnu.edu.cn) |
| 英文摘要 | Although being regarded as a promising cathode candidate for Na-ion batteries, Na3V2(PO4)(3) is still plagued with a congenital drawback that only a limited theoretical specific capacity of 400 Wh kg(-1) can be achieved by employing two-electron reaction. This study focuses on enhancing the energy density by enabling a fourth Na+ intercalation upon discharge, which increases the theoretical specific capacity to around 494 Wh kg(-1). The reaction mechanism of Na3V2(PO4)(3) in the whole potential range of charge/discharge (1.0-3.8 V) is elaborately investigated by the combination of Na-23/P-31 solid-state nuclear magnetic resonance (NMR) and cryogenic-temperature electron paramagnetic resonance (EPR) for the first time. EPR measurement under 1.8 K manifests the generation of V2+ with rhombohedral distortion upon the fourth Na+ intercalation process of Na3V2(PO4)(3). Besides, this study pinpoints the profound impact of polyanion site substitution to the local structural transformation of Na3V2(PO4)(3) upon Na+ (de)intercalation, which corroborates that the boron substitution into phosphorus site can broaden the range of solid-solution reaction, accelerate the structural transition toward V2+-containing phase, and refrain the short scale heterogeneity of P and Na nuclei. |
| WOS关键词 | ELECTROCHEMICAL PERFORMANCE ; ION BATTERIES ; MOBILITY ; NA ; 1ST-PRINCIPLES ; COMPOSITE |
| 资助项目 | National Natural Science Foundation of China[21902049] ; National Natural Science Foundation of China[21872055] ; Shanghai Sailing Program[19YF1413000] ; Shanghai Key Laboratory of Magnetic Resonance ; Shanghai Synchrotron Radiation Facility[BL02B02] |
| WOS研究方向 | Chemistry ; Science & Technology - Other Topics ; Materials Science |
| 语种 | 英语 |
| 出版者 | AMER CHEMICAL SOC |
| WOS记录号 | WOS:000677581600010 |
| 资助机构 | National Natural Science Foundation of China ; Shanghai Sailing Program ; Shanghai Key Laboratory of Magnetic Resonance ; Shanghai Synchrotron Radiation Facility |
| 源URL | [http://ir.hfcas.ac.cn:8080/handle/334002/124275]  |
| 专题 | 中国科学院合肥物质科学研究院 |
| 通讯作者 | Li, Chao; Hu, Bingwen |
| 作者单位 | 1.East China Normal Univ, Sch Phys & Elect Sci, Shanghai Key Lab Magnet Resonance, State Key Lab Precis Spect, Shanghai 200241, Peoples R China 2.Chinese Acad Sci, Anhui Key Lab Condensed Matter Phys Extreme Condi, High Magnet Field Lab, Hefei 230031, Peoples R China |
| 推荐引用方式 GB/T 7714 | Qiu, Qing,Li, Chao,Liu, Hui,et al. NMR Evidence for the Multielectron Reaction Mechanism of Na3V2(PO4)(3) Cathode and the Impact of Polyanion Site Substitution[J]. JOURNAL OF PHYSICAL CHEMISTRY C,2021,125. |
| APA | Qiu, Qing.,Li, Chao.,Liu, Hui.,Liao, Yuxin.,Zhao, Chong.,...&Hu, Bingwen.(2021).NMR Evidence for the Multielectron Reaction Mechanism of Na3V2(PO4)(3) Cathode and the Impact of Polyanion Site Substitution.JOURNAL OF PHYSICAL CHEMISTRY C,125. |
| MLA | Qiu, Qing,et al."NMR Evidence for the Multielectron Reaction Mechanism of Na3V2(PO4)(3) Cathode and the Impact of Polyanion Site Substitution".JOURNAL OF PHYSICAL CHEMISTRY C 125(2021). |
入库方式： OAI收割
来源：合肥物质科学研究院
浏览0
下载0
收藏0
其他版本
除非特别说明，本系统中所有内容都受版权保护，并保留所有权利。