Supported vanadium oxides serve as a substitutional catalyst for both propane nonoxidative dehydrogenation (PDH) and oxidative dehydrogenation (ODH), resulting from their substantial activity, propene selectivity, and regeneration rate. However, the nature of the active sites […]

A correct description of active sites is a precondition toward reaction mechanism study and catalyst screening. In many cases, high-symmetry and ideally ordered crystalline surfaces are used to represent the reactive sites. However, reaction-induced surface […]

The search for efficient nontoxic catalysts able to perform industrial hydrogenations is a topic of interest, transversal to many catalytic processes. This communication describes a mechanistic phenomenon of activation and spillover of hydrogen for remarkable […]

Due to the existence of scaling properties of adsorption energies on transition metal surfaces, the enhancement of the catalytic activity is frequently accompanied by side reactions leading to a reduction in selectivity for the target […]

Our article An experimental and theoretical study of glycerol oxidation to 1,3-dihydroxyacetone over bimetallic Pt-Bi catalysts, published in AIChE Journal, was one of the journal’s top 20 most downloaded recent papers!* ​As of year-end 2017 our article […]

CO2 reduction in aqueous solutions is an attractive strategy for carbon capture and utilization. Cuprous oxide (Cu2O) is a promising catalyst for CO2 reduction as it can not only convert CO2 into valuable hydrocarbons but also suppress the […]

One of our recent paper, “Hydroxyl-mediated Non-oxidative Propane Dehydrogenation over VOx/Al2O3 Catalysts with Promoted Stability“, is highlighted by Chemical & Engineering News (ACS) and Advanced Science News! Link to Chemical & Engineering News (ACS): Watching vanadium catalysts dehydrogenate propane […]

The intrinsic errors due to functionals are always a concern on the reliability of the predicted catalytic performance by density functional theory. We show a probability-based computational screening study, which has successfully identified an optimal […]

Supported vanadium oxides are one of the most promising alternative catalysts for propane dehydrogenation (PDH) and massive efforts have been made to improve its catalytic performance. However, unlike Pt‐based catalysts, the nature of the active […]

Our recent publication “Participation of Interfacial Hydroxyl Groups in the Water-Gas Shift Reaction over Au/MgO Catalysts. Catal. Sci. Technol. 2017, 7, 5257-5266  http://doi.org/10.1039/C7CY01020F” is selected as 2017 HOT article from the Catalysis Science & Technology Editorial Board