燃料化学学报（中英文）2023，Vol.51Issue(2)：263-272,10.DOI:10.1016/S1872-5813(22)60074-4
Cu基催化剂上糠醛转化为糠醇结构敏感性的理论研究
The structure-sensitive of Cu catalyst for furfural conversion to furfuryl alcohol:A theoretical study
摘要
Abstract
The structure-sensitive of Cu catalyst for furfural hydrogenation to furfuryl alcohol was explored by employing Cu(111)and Cu(211)model systems.Herein,the adsorption behavior of reactants and intermediates,and the possible reaction mechanism of furfuryl alcohol formation were investigated.For furfuryl alcohol formation,the preferred pathway is F-CHO+2H→F-CH2O+H→F-CH2OH,in which the second H addition is the rate-determining step.Meanwhile,Cu(211)surface exhibits higher activity to furfuryl alcohol formation than that on Cu(111)surface.According to our analysis,the undercoordinated sites on the Cu(211)surface could facilitate H2 dissociation and stabilize the adsorbed furfural,thereby promoting the furfural hydrogenation and the furfuryl alcohol formation.This work provides a feasible approach for regulating the catalytic activity and selectivity in furfural conversion.关键词
Cu基催化剂/结构敏感性/糠醛加氢/糠醇Key words
Cu catalysts/structure-sensitive/furfural hydrogenation/furfuryl alcohol分类
化学化工引用本文复制引用
王贵儒,智翠梅,杨雯..Cu基催化剂上糠醛转化为糠醇结构敏感性的理论研究[J].燃料化学学报（中英文）,2023,51(2):263-272,10.基金项目
The project was supported by Shanxi Province Science Foundation for Youths(20210302124057),Doctoral Scientific Research Foundation of Taiyuan University of Science and Technology(2019060),Scientific and Technological Innovation Project of Colleges and Universities in Shanxi Province(2020L0353),Outstanding Doctoral Award Fund in Shanxi Province(20202017)and National Natural Science fund of China(51871158). （20210302124057）
