Unraveling the Complex Delithiation and Lithiation Mechanisms of the High Capacity Cathode Material V6O13
文献类型：期刊论文
| 作者 | Meng, Wei1; Pigliapochi, Roberta1; Bayley, Paul M.1; Pecher, Oliver1; Gaultois, Michael W.1; Seymour, Ieuan D.1; Liang, Han-Pu2 ; Xu, Wenqian3; Wiaderek, Kamila M.3; Chapman, Karena W.3
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| 刊名 | CHEMISTRY OF MATERIALS
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| 出版日期 | 2017-07-11 |
| 卷号 | 29期号:13页码:5513-5524 |
| DOI | 10.1021/acs.chemmater.7b00428 |
| 文献子类 | Article |
| 英文摘要 | V6O13 is a promising Li-ion battery cathode material for use in the high temperature oil field environment. The material exhibits a high capacity, and the voltage profile contains several plateaus associated with a series of complex structural transformations, which are not fully understood. The underlying mechanisms are central to understanding and improving the performance of V6O13-based rechargeable batteries. In this study, we present in situ X-ray diffraction data that highlight an asymmetric six-step discharge and five step charge process, due to a phase that is only formed on discharge. The LixV6O13 unit cell expands sequentially in c, b, and a directions during discharge and reversibly contracts back during charge. The process is associated with change of Li ion positions as well as charge ordering in LixV6O13. Density functional theory calculations give further insight into the electronic structures and preferred Li positions in the different structures formed upon cycling, particularly at high lithium contents, where no prior structural data are available. The results shed light into the high specific capacity of V6O13 and are likely to aid in the development of this material for use as a cathode for secondary lithium batteries. |
| WOS关键词 | DENSITY-FUNCTIONAL THEORY ; VANADIUM-OXIDE ; LITHIUM CELLS ; NONSTOICHIOMETRIC V6O13 ; ELECTRONIC-STRUCTURE ; RIETVELD REFINEMENT ; BATTERIES ; DIFFRACTION ; INSULATORS ; TRANSITION |
| WOS研究方向 | Chemistry ; Materials Science |
| 语种 | 英语 |
| WOS记录号 | WOS:000405535700011 |
| 资助机构 | Schlumberger Gould Research, Cambridge, U.K. ; Cambridge Overseas Trust ; DOE Office of Science by Argonne National Laboratory(DE-AC02-06CH11357) ; FP7Marie Curie International Incoming Fellowship ; European Union(655444 ; People Programme (Marie Curie Actions) of the European Union(317127) ; EPSRC(EP/L000202) ; U.S. Department of Energy, Office of Basic Energy Sciences(DE-AC0298CH10886) ; 659764) |
| 源URL | [http://ir.qibebt.ac.cn/handle/337004/9626]  |
| 专题 | 青岛生物能源与过程研究所_能源催化材料团队 |
| 作者单位 | 1.Univ Cambridge, Dept Chem, Lensfield Rd, Cambridge CB2 1EW, England 2.Chinese Acad Sci, QingDao Inst Bioenergy & Bioproc Technol, 189 Songling Rd, Qingdao 266101, Peoples R China 3.Argonne Natl Lab, Xray Sci Div, 9700 South Cass Ave, Argonne, IL 60439 USA |
| 推荐引用方式 GB/T 7714 | Meng, Wei,Pigliapochi, Roberta,Bayley, Paul M.,et al. Unraveling the Complex Delithiation and Lithiation Mechanisms of the High Capacity Cathode Material V6O13[J]. CHEMISTRY OF MATERIALS,2017,29(13):5513-5524. |
| APA | Meng, Wei.,Pigliapochi, Roberta.,Bayley, Paul M..,Pecher, Oliver.,Gaultois, Michael W..,...&Grey, Clare P..(2017).Unraveling the Complex Delithiation and Lithiation Mechanisms of the High Capacity Cathode Material V6O13.CHEMISTRY OF MATERIALS,29(13),5513-5524. |
| MLA | Meng, Wei,et al."Unraveling the Complex Delithiation and Lithiation Mechanisms of the High Capacity Cathode Material V6O13".CHEMISTRY OF MATERIALS 29.13(2017):5513-5524. |
入库方式： OAI收割
来源：青岛生物能源与过程研究所
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