Prof. Zhao gave an invited talk presentation at the 8th National Physical Inorganic Chemistry Meeting. The title of the talk is “A combined theoretical and experimental study on the catalytic CO2 reduction by Cu2O”.
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 readingJoint project with Germany: Understanding the CO2 reduction mechanism over CoCu-based catalyst by combined theoretical and experimental studies
Our new proposal focusing on CO2 reduction collaborated with Prof. Felix Studt at Karlsruher Institut für Technologie was approved! 2018-2020: “Understanding the CO2 reduction mechanism over CoCu-based catalyst by combined theoretical and experimental studies”, PI
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 readingInvited talk at the 8th Asian-Pacific Chemical Reaction Engineering Symposium
Prof. Zhao gave an invited talk presentation at the 8th Asian-Pacific Chemical Reaction Engineering Symposium. The title of the talk is “Screening of Propane Dehydrogentation Catalyst by Density Functional Theory Calculations”.
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 readingProf. Neyman visited TJU
Prof. Neyman from Universitat de Barcelona visited us today and gave a lecture with the title “Modelling Catalytic Nanomaterials-as Simple as Possible, but not Simpler”. Welcome to Tianjin!
Continue readingInvited talk at the 7th International Conference on Nanoscience & Technology
Prof. Zhao gave an invited talk presentation at the 7th International Conference on Nanoscience & Technology. The title of the talk is “Mechanistic Understanding of CO2 Photo/Electron Catalytic Reduction Selectivity”.
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