Comparison of ChVOH and βVOH: structural models and energy levels, O 1s X-ray absorption spectra, and GCD curves at 0.5 A g⁻¹.

Major Contributions
 

1.Elucidation of the relationship between local [VO6] octahedra distortions and electronic structure evolution, revealing that modulation of vanadium-oxygen bond lengths and ligand-field environments directly enhances redox V 3d orbital energy alignment.

2.Demonstration that pre-intercalation with β-choline cations expands [VO6] units, resulting in elevated midpoint and working voltages, along with superior cycling stability (91.3% retention after 3000 cycles).

3.Establishment of a universal crystal field engineering strategy for transition metal oxide electrodes, combining experimental (XAFS, synchrotron PDF) and theoretical (DFT) insights to guide the design of high-energy-density, structurally stable rechargeable batteries.

主要貢獻
 

1.電子結構與畸變的關聯解析： 闡明了局部 [VO₆] 八面體扭曲（distortion）與電子結構演變之間的關係，揭示了透過調控釩-氧（V-O）鍵長與配位場環境，能直接提升氧化還原 V 3d 軌域的能級排列（energy alignment）。

2.膽鹼預嵌入提升電壓與穩定性：證實利用 beta-膽鹼陽離子（β-choline cations ）進行預嵌入可擴展 [VO₆] 單元。這項策略不僅顯著提高了中值電壓（midpoint voltage）與工作電壓，還實現了優異的循環穩定性（3000 次循環後容量保持率達 91.3%）。

3.通用的晶體場工程策略：結合先進實驗技術（XAFS、同步輻射 PDF）與理論計算（DFT），建立了一套針對過渡金屬氧化物電極的通用晶體場工程策略，為設計高能量密度且結構穩定的可充電電池提供了指導。