Shaping the selectivity in heterogeneous hydrogenation by using molecular modification strategies: Experiment and theory

•Overview of recent experimental and theoretical advances for surface modification.•High H coverage would change the adsorption and reaction behaviors of substrates.•Long chain organics would induce steric and electronic effects on the surfaces.

Heterogeneous selective hydrogenation plays an important role in the manufacture of high value-added chemicals. Modification of noble metal catalysts, e.g. Pd, Pt and Au, by using inorganic or organic compounds has been emerging as one of the most effective strategies to enhance the substrate selectivity, chemoselectivity, and enantioselectivity as well. The purpose of this paper is to review recent experimental and theoretical advances on this topic. We will concentrate on the steric and/or electronic effects at the surface/interface induced by the surface molecular modifiers, and how these effects work alone or together to generate a high selectivity.

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