在β-V2O5中滑诱导的结构演变使可逆高离子储存成为可能:一个联合的同步离子衍射和XAS研究
Rafael Córdoba1, Jakub Goclon2, Angelina Sarapulova3,4,5
1Departamento de Química y Bioquímica, Facultad de Farmacia, Universidad San Pablo-CEU, CEU Universities, Urbanización Montepríncipe, Boadilla del Monte, Madrid 28668, Spain.
概括
高压β-氧化 (β-V2O5) 在离子电池方面表现有前途. 这项研究通过先进的技术澄清了其可逆的间机制,揭示了独特的相位过渡序列.
科学领域:
- 材料科学 材料科学 材料科学
- 电化学 电化学 电化学
- 固态化学 固态化学
背景情况:
- 高压β-V2O5是离子电池的有前途的阴极材料,具有高容量.
- 间的确切机制以及由此产生的结构变化仍然不清楚.
研究的目的:
- 综合调查间隔过程中β-V2O5的结构演变,氧化状态和局部结构变化.
- 阐明β-V2O5中的可逆 (de) 间隔机制.
主要方法:
- 操作同步射线X射线衍射 (XRD) 和X射线吸收光谱 (XAS).
- 射线光电子光谱 (XPS) 和外置传输电子显微镜 (TEM).
- 第一个原则密度函数理论 (DFT) 计算.
主要成果:
- 在β-V2O5中证实了 (脱) 间隔的可逆性.
- 在循环过程中确定了化相 (NaxV2O5,0 ≤ x ≤ 1) 的晶体结构.
- 确定了一种可逆相变序列 (P21/m → C2/m → P21/m) 由V2O5板滑动驱动.
结论:
- 在β-V2O5中的储存机制涉及可逆相位过渡,由层滑动促进.
- 这为离子电池应用提供了对β-V2O5的电化学行为的基本理解.
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