Unraveling the Complex Delithiation and Lithiation Mechanisms of the High Capacity Cathode Material V 6 O 13
| Autor: | Clare P. Grey, Roberta Pigliapochi, Karena W. Chapman, Paul M. Bayley, Wenqian Xu, Oliver Pecher, Wei Meng, Kamila M. Wiaderek, Michael W. Gaultois, Han-Pu Liang, Ieuan D. Seymour |
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| Rok vydání: | 2017 |
| Předmět: |
Battery (electricity)
Diffraction Chemistry General Chemical Engineering Nanotechnology Charge (physics) 02 engineering and technology General Chemistry 010402 general chemistry 021001 nanoscience & nanotechnology 01 natural sciences 0104 chemical sciences Ion Charge ordering 13. Climate action Chemical physics Phase (matter) Materials Chemistry Density functional theory 0210 nano-technology Voltage |
| Zdroj: | Chemistry of Materials |
| ISSN: | 0897-4756 |
| DOI: | 10.1021/acs.chemmater.7b00428 |
| Popis: | 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 l... |
| Databáze: | OpenAIRE |
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