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Prof. Zhi-Jian Zhao

Energy and Catalysis Adventure Team (Ecat)

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Invited talk at the 8th National Physical Inorganic Chemistry Meeting

Posted on April 15, 2018July 20, 2018 by Admin

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”.

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Chem Sci: Find the optimal PDH catalyst

Posted on March 20, 2018March 20, 2018 by Admin

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 […]

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Angew Chem: Hydroxyl‐mediated Non‐oxidative Propane Dehydrogenation over VOx/Al2O3 Catalysts with Promoted Stability

Posted on March 20, 2018March 20, 2018 by Admin

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 […]

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Our recent publication is selected as 2017 HOT article from the Catalysis Science & Technology Editorial Board

Posted on February 11, 2018February 11, 2018 by Admin

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

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Joint project with Germany: Understanding the CO2 reduction mechanism over CoCu-based catalyst by combined theoretical and experimental studies

Posted on December 18, 2017December 18, 2017 by Admin

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

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Prof. Zhao was appointed to Associate Editor position at Chemical Engineering Science

Posted on December 15, 2017December 15, 2017 by Admin

It is a great honor to be linked with one of the best journals in Chemical Engineering community!

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Invited talk at the 8th Asian-Pacific Chemical Reaction Engineering Symposium

Posted on November 14, 2017December 15, 2017 by Admin

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”.

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Editor’s Choice: identify surface intermediates by density functional theory calculations

Posted on October 31, 2017February 12, 2018 by Admin

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 […]

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Prof. Neyman visited TJU

Posted on September 21, 2017December 18, 2017 by Admin

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!

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Invited talk at the 7th International Conference on Nanoscience & Technology

Posted on August 30, 2017November 8, 2017 by Admin

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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Latest News

  • Prof. Zhao is appointed as Excutive Editor for Chem. Eng. Sci. December 23, 2022
  • Angew Chem: Data-Driven Interpretable Descriptors for the Structure–Activity Relationship of Surface Lattice Oxygen on Doped Vanadium Oxides June 27, 2022
  • Angew Chem: Nature of the Active Sites of Copper Zinc Catalysts for Carbon Dioxide Electroreduction March 14, 2022
  • Joint project with South African: The development of efficient Cu-based catalysts for CO2 (photo-)electro reduction February 9, 2022
  • New funding approved: Rational design of heterogenous catalyst by novel computational methodology December 1, 2021

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Contact: zjzhao@tju.edu.cn

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