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 […]
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Our recent AIChE J article was one of the top downloaded articles in recent publication history
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 […]
Continue readingAngew Chem: The Functionality of Surface Hydroxyls on CO2 Reduction over Cu2O in Aqueous Solutions
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 […]
Continue readingOur recent publication is highlighted by Chemical & Engineering News (ACS) and Advanced Science News
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 […]
Continue readingChem Sci: Find the optimal PDH catalyst
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 […]
Continue readingAngew Chem: Hydroxyl‐mediated Non‐oxidative Propane Dehydrogenation over VOx/Al2O3 Catalysts with Promoted Stability
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 […]
Continue readingOur recent publication is selected as 2017 HOT article from the Catalysis Science & Technology Editorial Board
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
Continue readingProf. Zhao was appointed to Associate Editor position at Chemical Engineering Science
It is a great honor to be linked with one of the best journals in Chemical Engineering community!
Continue readingEditor’s Choice: identify surface intermediates by density functional theory calculations
An article was nominated to be one of the publications recently chosen by the Editors of Surface Science to be highlighted in Editors’ Choice. Identification of surface species by vibrational normal mode analysis. A DFT […]
Continue readingPerdition of CO Binding Strength by Coordination Numbers
The CO poison is one of the major problems for Pt based catalytic processes. We showed that the CO binding strength over PtCu alloy (111) surfaces strongly depend on the Pt local structure, where surface […]
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