Mechanistic understanding of the catalytic hydrogenation of bio-derived aromatics

Abstract

Biorefinery, the transformation of biomass to renewable energy and materials, is a prominent player in the sustainability agenda to achieve carbon neutrality in 30–40 years. In the reductive upgrading of bio-based aromatic compounds (e.g., furfural), disparity in the reported product profiles leads to a scientific question – what general principles govern the catalytic rate and selectivity towards certain paths? There are increasing pieces of evidence for metal–reactant interactions serving as the fundamental determinants of the reaction rate and product distribution. The binding strength and geometry of substrates depend on the coverage of the substrate itself as well as other surface species. Modifying metal electronic properties not only affects the state of the adsorbed organic substrate but also hydrogen binding as quantified by electrochemical characterization. This review addresses the issues above from the viewpoint of kinetics and thermodynamics, by aligning multi-disciplinary findings from catalyst evaluations, theoretical calculations, and electrochemical analyses, shedding light on the universal descriptors of catalytic hydrogenation.