Reaction pathways of furfural, furfuryl alcohol and 2-methylfuran on Cu(111) and NiCu bimetallic surfaces

SURFACE SCIENCE

卷:652

Article

Xiong, Ke¹  Wan, Weiming²  Chen, Jingguang G.^2,3 

[1] Univ Delaware, Dept Chem & Biomol Engn, Newark, DE 19716 USA

[2] Columbia Univ, Dept Chem Engn, New York, NY 10027 USA

[3] Brookhaven Natl Lab, Dept Chem, Upton, NY 11973 USA

关键词: Biomass;    Furfural;    Hydrodeoxygenation;    NiCu bimetallic;    2-Methylfuran;   

DOI  :  10.1016/j.susc.2016.02.011

来源: Elsevier

【 摘 要 】

Hydrodeoxygenation (HDO) is an important reaction for converting biomass-derived furfural to value-added 2-methylfuran, which is a promising fuel additive. In this work, the HDO of furfural to produce 2-methylfuran occurred on the NiCu bimetallic surfaces prepared on either Ni(111) or Cu(111). The reaction pathways of furfural were investigated on Cu(111) and Ni/Cu(111) surfaces using density functional theory (DFT) calculations, temperature-programmed desorption (TPD) and high-resolution electron energy loss spectroscopy (HREELS) experiments. These studies provided mechanistic insights into the effects of bimetallic formation on enhancing the HDO activity. Specifically, furfural weakly adsorbed on Cu(111), while it strongly adsorbed on Ni/Cu(111) through an eta(2)(C,O) configuration, which led to the HDO of furfural on Ni/Cu(111). The ability to dissociate H-2 on Ni/Cu(111) is also an important factor for enhancing the HDO activity over Cu(111). (C) 2016 Elsevier B.V. All rights reserved.

【 授权许可】

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