Just Accepted
Just Accepted Articles have been posted online after technical editing and typesetting for immediate view. The final edited version with page numbers will appear in the Current Issue soon.
Submit a Manuscript
Tuning the eg* band broadening of the in-situ NiOOH by W doping for efficient biomass electrooxidation
Jinlv Wei, Jianlong Zhang, Huan Wen, Zhixiang Zhai, Fangyuan Guan, Zelong Sun, Jia Wu*, Shibin Yin*
https://doi.org/10.1016/j.cjsc.2025.100541
ABSTRACT
5-Hydroxymethylfurfural electrooxidation reaction (HMFOR) provides a promising route for producing high-value-added compounds. It is generally believed that NiOOH is the active species in the HMFOR process, but its inherently poor electron transfer ability leads to limited catalytic activity. In this work, a W doping strategy is adopted to regulate the electron transfer between NiOOH and reaction molecules. Electrochemical results show that W-doped Ni5P4-R exhibits excellent electrochemical performance for the oxidation of HMF to FDCA with the conversion of HMF and yield of FDCA both close to ∼100%. Density functional theory and in-situ characterization reveal that the introduction of W causes the distortion of the NiOOH lattice, resulting in the Jahn-Teller distortion and the elimination of orbital degeneracy, thereby broadening the eg* band of NiOOH. This feature is beneficial for the electron transfer between W-doped NiOOH and HMF (1.31e−), thereby promoting the C−H bond activation of the aldehyde group in HMF and effectively reducing the energy barrier of the rate-determining step.
- Address: Fuzhou High & New Technology Industrial Zone, Shangjie, Minhou, Fuzhou, Fujian 350108, China
- Tel: (86)-591-63173769, 63173770
- E-mail: cjsc@fjirsm.ac.cn
Copyright @ 2022 Chinese Journal of Structural Chemistry-www.Chinese Journal of Structural Chemistry.net. All Rights Reserved 闽ICP备2022002645号-1