2-methyl-tetrahydrofuran(2-MTHF)is a promising biofuel or fuel additive with excellent burning prop-erty,a versatile new-style solvent in organic synthesis,and an important medical intermediate.In this work,a one-pot selective conversion of furfural(FA)into 2-MTHF was carried out over Zn doped Co/NC catalysts.The Zn-Co/NC-1 catalyst with trace Zn dopant(0.38 wt％)exhibited the best performance(yield of 2-MTHF:93.8％).According to the characterizations,it was found that the Zn not only incorpo-rates into the carbon support but also partially dopes into Co nanoparticles.Subsequently,theoretical cal-culations demonstrated that the doping of Zn in carbon support can effectively enhance the electron transfer from the support to the metallic Co particle,leading to the electron-rich Co surface.The presence of Zn was found to promote the dissociation of hydrogen and to lower the diffusion barrier of hydrogen atom,in favor of the hydrogenation/hydrodeoxygenation processes.Furthermore,the Zn doped models exhibit much lower barrier in breaking C-OH bond of FOL,resulting in higher activity for hydrodeoxy-genation of FOL These theoretical results are consistent with the in situ FT-IR analysis of adsorption sub-strates and intermediates over Zn doped catalyst.This work reveals the mechanism of dopant Zn tailoring the electronic structure and catalytic performance of active sites,providing a deep insight into the design of economical and high-performance catalysts for hydrogenation/hydrodeoxygenation of biomass feedstocks.

Lei Huang;Liqiang Wang;Zonghao Zhang;Xinpeng Guo;Xiaowen Zhang;Johnny Muya Chabu;Pingle Liu;Feiying Tang

College of Chemical Engineering,Xiangtan University,Xiangtan 411105,Hunan,China;Henan Province Industrial Technology Research Institute of Resources and Materials,School of Material Science and Engineering,Zhengzhou University,Zhengzhou 450001,Henan,China;Department of Chemistry,Faculty of Science,University of Lubumbashi,PO Box 1825,Lubumbashi,DR,Congo

能源化学

[1]Lei Huang;Liqiang Wang;Zonghao Zhang;Xinpeng Guo;Xiaowen Zhang;Johnny Muya Chabu;Pingle Liu;Feiying Tang-.Understanding the promotional effects of trace doped Zn in Co/NC for efficient one-pot catalytic conversion of furfural to 2-methyl-tetrahydrofuran)[J].能源化学,2022(08):225-233

dopes,hydrodeoxy

Understanding,promotional,effects,trace,doped,Co,NC,efficient,one,pot,catalytic,conversion,furfural,methyl,tetrahydrofuran,MTHF,promising,biofuel,additive,excellent,burning,prop,erty,versatile,new,style,solvent,organic,synthesis,important,medical,In,this,work,selective,FA,into,was,carried,out,over,catalysts,dopant,wt,exhibited,best,performance,yield,According,characterizations,found,that,not,only,incorpo,carbon,support,but,also,partially,nanoparticles,Subsequently,theoretical,culations,demonstrated,doping,can,effectively,enhance,transfer,from,metallic,leading,rich,surface,presence,promote,dissociation,lower,diffusion,barrier,atom,favor,hydrogenation,hydrodeoxygenation,processes,Furthermore,models,much,breaking,bond,FOL,resulting,higher,activity,These,results,are,consistent,situ,FT,analysis,adsorption,sub,strates,intermediates,This,reveals,mechanism,tailoring,electronic,structure,active,sites,providing,deep,insight,design,economical,biomass,feedstocks

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