New Insights into Structural Evolution of LiNiO2 Revealed by Operando Neutron Diffraction,Batteries & Supercaps

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New Insights into Structural Evolution of LiNiO2 Revealed by Operando Neutron Diffraction
Batteries & Supercaps ( IF 5.1 ) Pub Date : 2021-09-08 , DOI: 10.1002/batt.202100135
Po‐Hsiu Chien ₁ , Xianyang Wu _{1,

2,

3} , Bohang Song ₁ , Zhijie Yang ₄ , Crystal K. Waters ₄ , Michelle S. Everett ₁ , Feng Lin ₄ , Zhijia Du ₂ , Jue Liu ₁

Affiliation

Real time phase transition of electrode: Operando neutron diffraction was employed to track the phase transitions of LiNiO₂ cathode and graphite anode during charging/discharging at C/10 for the first cycle in real time. Anomalous Li/Ni−O bond lengths in the H3 phase (LiNiO₂) were identified and rationalized by the effect of negative charge transfer through Ni⁴⁺(3d)−O²⁻(2p) rehybridization.

中文翻译：

操作数中子衍射揭示了对 LiNiO2 结构演化的新见解

电极的实时相变：使用操作数中子衍射来实时跟踪LiNiO ₂正极和石墨负极在C/10 充电/放电过程中的第一次循环的相变。H3 相 (LiNiO ₂ ) 中异常的 Li/Ni-O 键长通过 Ni ⁴⁺ (3d)-O ^2- (2p) 再杂化的负电荷转移效应被识别和合理化。

更新日期：2021-11-08

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