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

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外文摘要：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 valorization.Herein,we reported a P-doping bifunctional catalyst(Ni-P/mSiO2)that achieved 96.6％yield for the hydrogenation rearrange-ment of furfural to cyclopentanone at mild conditions(1 MPa H2,150 ℃).The turnover frequency of Ni-P/mSiO2 was 411.9 h-1,which was 3.2-fold than that of Ni/mSiO2(127.2 h-1).Detailed characterizations and differential charge density calculations revealed that the electron-deficient Niδ+species were gener-ated by the electron transfer from Ni to P,which promoted the ring rearrangement reaction.Density func-tional 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 cyclopentanone.This 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.

外文关键词：

FurfuralHydrogenation rearrangementP-dopingElectron transferBiomass valorization

作者：

Weichen Wang、Hongke Zhang、Yidan Wang、Fangyuan Zhou、Zhiyu Xiang、Wanbin Zhu、Hongliang Wang

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作者单位：

Center of Biomass Engineering,College of Agronomy and Biotechnology,China Agricultural University,Beijing 100193,China

基金：

National Key R&D Program of China2115 Talent Development Program of China Agricultural University FundBeijing Innovation Team of the Modern Agricultural Research System

项目编号：

2023YFD17015041011-00109018BAIC08-2023-FQ02

出版年：

2024

DOI：

10.1016/j.jechem.2024.01.004

能源化学

中国科学院大连化学物理研究所中国科学院成都有机化学研究所

能源化学

CSTPCDEI

影响因子：0.654

ISSN：2095-4956

年,卷(期)：2024.92(5)