About this Physics and Astronomy article

Bifunctional hydroformylation on heterogeneous Rh-WOx pair site catalysts by Insoo Ro; Ji Qi; Seungyeon Lee; Mingjie Xu; Xingxu Yan; Zhenhua Xie; Gregory Zakem; Austin Morales; Jingguang G. Chen; Xiaoqing Pan; Dionisios G. Vlachos; Stavros Caratzoulas; Phillip Christopher is a Physics and Astronomy article available to read on EtoBox.

Metal-catalysed reactions are often hypothesized to proceed on bifunctional active sites, whereby colocalized reactive species facilitate distinct elementary steps in a catalytic cycle . Bifunctional active sites have been established on homogeneous binuclear organometallic catalysts . Empirical evidence exists for bifunctional active sites on supported metal catalysts, for example, at metal-oxide support interfaces . However, elucidating bifunctional reaction mechanisms on supported metal catalysts is challenging due to the distribution of potential active-site structures, their dynamic reconstruction and required non-mean-field kinetic descriptions . We overcome these limitations by synthesizing supported, atomically dispersed rhodium-tungsten oxide (Rh-WO x ) pair site catalysts. The relative simplicity of the pair site structure and sufficient description by mean-field modelling enable correlation of the experimental kinetics with first principles-based microkinetic simulations. The Rh-WO x pair sites catalyse ethylene hydroformylation through a bifunctional mechanism involving Rh-assisted WO x reduction, transfer of ethylene from WO x to Rh and H 2 dissociation at the Rh-WO x

Author

Insoo Ro; Ji Qi; Seungyeon Lee; Mingjie Xu; Xingxu Yan; Zhenhua Xie; Gregory Zakem; Austin Morales; Jingguang G. Chen; Xiaoqing Pan; Dionisios G. Vlachos; Stavros Caratzoulas; Phillip Christopher

Publisher

Springer Science and Business Media LLC

Published

2022

Language

EN

Field

Physics and Astronomy (Physical Sciences)