P-induced electron transfer interaction for enhanced selective hydrogenation rearrangement of furfural to cyclopentanone

作     者：Weichen Wang Hongke Zhang Yidan Wang Fangyuan Zhou Zhiyu Xiang Wanbin Zhu Hongliang Wang 

作者机构：Center of Biomass EngineeringCollege of Agronomy and BiotechnologyChina Agricultural UniversityBeijing 100193China 

出 版 物：《Journal of Energy Chemistry》 (能源化学（英文版）)

年 卷 期：2024年第92卷第5期

页      面：43-51页

核心收录：

学科分类：0820[工学-石油与天然气工程] 081702[工学-化学工艺] 081705[工学-工业催化] 0817[工学-化学工程与技术] 08[工学] 080502[工学-材料学] 0805[工学-材料科学与工程（可授工学、理学学位）] 0703[理学-化学] 

基　　金：supported by the National Key R&D Program of China(2023YFD1701504) the 2115 Talent Development Program of China Agricultural University Fund(1011-00109018) the Beijing Innovation Team of the Modern Agricultural Research System(BAIC08-2023-FQ02) 

主　　题：Furfural Hydrogenation rearrangement P-doping Electron transfer Biomass valorization 

摘      要：Optimizing the intrinsic activity of non-noble metal by precisely tailoring electronic structure offers an appealing way to construct cost-effective catalysts for selective biomass ***,we reported a P-doping bifunctional catalyst(Ni-P/mSiO_(2))that achieved 96.6%yield for the hydrogenation rearrangement of furfural to cyclopentanone at mild conditions(1 MPaH_(2),150°C).The turnover frequency of Ni-P/mSiO_(2)was 411.9 h^(-1),which was 3.2-fold than that of Ni/mSiO_(2)(127.2 h^(-1)).Detailed characterizations and differential charge density calculations revealed that the electron-deficient Niδ+species were generated by the electron transfer from Ni to P,which promoted the ring rearrangement *** functional theory calculations illustrated that the presence of P atoms endowed furfural tilted adsorb on the Ni surface by the C=O group and facilitated the desorption of *** work unraveled the connection between the localized electronic structures and the catalytic properties,so as to provide a promising reference for designing advanced catalysts for biomass valorization.