Catalytic Hydrogenolysis of HMF to DMF over N-doped Molybdenum Carbide Catalyst

IF 2.3 4区化学 Q3 CHEMISTRY, PHYSICAL

Catalysis Letters Pub Date : 2024-06-24 DOI:10.1007/s10562-024-04757-0

Peng Rui, Wenfei Huang, Qian Xu, Han Lu, Tongqi Ye, Xin Yao, Yuewen Ye, Rulong Zhou

引用次数: 0

Abstract

The effect of organic precursors on catalysts was studied and the preparation of catalyst and reaction conditions were optimized. A 91% selectivity of 2,5-dimethylfuran (DMF) from the hydrogenolysis of 5-hydroxymethylfurfural (HMF) was obtained on a Mo monometallic catalyst, in which nitrogen doping played a key role. Density functional theory (DFT) shows that Mo sites with N, O and C coordination have moderate adsorption strength of HMF and H₂ and lower energy barrier of key steps compared with pure molybdenum nitride, molybdenum carbide and molybdenum oxide, which may be conducive to catalytic hydrogenolysis of HMF.

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掺杂 N 的碳化钼催化剂催化加氢分解 HMF 至 DMF

研究了有机前体对催化剂的影响，并对催化剂的制备和反应条件进行了优化。在掺氮起关键作用的钼单金属催化剂上，5-羟甲基呋喃（HMF）氢解生成 2,5 二甲基呋喃（DMF）的选择性达到 91%。密度泛函理论（DFT）表明，与纯氮化钼、碳化钼和氧化钼相比，具有 N、O 和 C 配位的钼位点对 HMF 和 H2 的吸附强度适中，关键步骤的能垒较低，这可能有利于催化 HMF 的氢解。

本文章由计算机程序翻译，如有差异，请以英文原文为准。

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来源期刊

Catalysis Letters 化学-物理化学

CiteScore

5.70

自引率

3.60%

发文量

327

审稿时长

1 months

期刊介绍： Catalysis Letters aim is the rapid publication of outstanding and high-impact original research articles in catalysis. The scope of the journal covers a broad range of topics in all fields of both applied and theoretical catalysis, including heterogeneous, homogeneous and biocatalysis. The high-quality original research articles published in Catalysis Letters are subject to rigorous peer review. Accepted papers are published online first and subsequently in print issues. All contributions must include a graphical abstract. Manuscripts should be written in English and the responsibility lies with the authors to ensure that they are grammatically and linguistically correct. Authors for whom English is not the working language are encouraged to consider using a professional language-editing service before submitting their manuscripts.