催化作用
材料科学
密度泛函理论
分子
异质结
金属
化学工程
降级(电信)
生物量(生态学)
纳米技术
氧气
X射线光电子能谱
组合化学
级联
活性氧
可再生能源
石墨烯
光化学
激光烧蚀
氧化态
紫外线
反应机理
机制(生物学)
工作(物理)
作者
H J Wang,Hongyue Zhu,Dan Zhou,Xiaoming Li,Xianzhu Luo,Chong Li,Yiming Liu,Hongshuai Cao
摘要
ABSTRACT Electrocatalytic oxidation of 5‐hydroxymethylfurfural (HMF) to 2,5‐furandicarboxylic acid (FDCA) offers a sustainable route for biomass valorization into renewable polyester monomers. However, under alkaline conditions (pH 11.0), non‐precious metal catalysts struggle to achieve low overpotential, high FDCA selectivity, and ultralong stability simultaneously. Herein, density functional theory (DFT) calculations reveal that oxygen vacancy‐rich CoO substantially lowers the energy barrier for HMF to 5‐Hydroxymethyl‐2‐furancarboxylic acid (HMFCA) conversion, while low‐coordination high‐spin CoOOH effectively stabilizes the * OH intermediate to promote deep oxidation. Guided by these insights, we develop ultraviolet laser ablation combined with an electro‐oxidation activation strategy to construct an oxygen vacancy‐rich CoO/low‐coordination high‐spin CoOOH heterostructure catalyst. The catalyst delivers 10 mA cm −2 at merely 1.19 V (vs. RHE), with >98% HMF conversion, near‐100% FDCA selectivity, and stability exceeding 1000 h, setting a new benchmark for non‐precious metal catalysts under comparable conditions. Experiments and various in situ characterizations confirm that the synergistic optimization of the reaction pathway aligns closely with theoretical predictions. This oxygen vacancy‐induced low‐coordination high‐spin state regulation strategy exhibits excellent generality, successfully extended to Ni‐based systems, and demonstrates markedly enhanced performance across various biomass platform molecule electrooxidations. This work provides a new paradigm for designing efficient, stable, and cost‐effective non‐precious metal catalysts for biomass electro‐valorization.
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