The intrinsic errors due to functionals are always a concern on the reliability of the predicted catalytic performance by density functional theory. This paper describes a probability-based computational screening study, which has successfully identified an optimal bimetallic alloy (Pt3In) for propane dehydrogenation reaction (PDH). Considering DFT uncertainty, Pt3In was found to get an activity comparable […]
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 site and surface structure of supported vanadium catalysts under reductive reaction condition still remain elusive. We show that the surface […]
The existence of acetylene impurities in ethylene feedstock is harmful to downstream polymerization reactions. The removal of acetylene can be achieved via semihydrogenation reaction, which is normally catalyzed by Pd-based catalysts. This paper describes the coverage effect on the activity of acetylene hydrogenation reactions over Pd and PdSn alloy surfaces. High-coverage models are presented to […]
La2O3 exhibits good performance for various catalytic applications, such as oxidative coupling of methane (OCM) and dry reforming of methane (DRM), during which coke formation may lead to the deactivation of catalysts. Typically, the reaction between CO2 adsorbed on La2O3 and coke is the rate-determining step of the coke elimination process. This paper describes the […]
Electrochemical conversion of carbon dioxide (electrochemical reduction of carbon dioxide) to value‐added products is a promising way to solve CO2 emission problems. This paper describes a facile one‐pot approach to synthesize palladium–copper (Pd–Cu) bimetallic catalysts with different structures. Highly efficient performance and tunable product distributions are achieved due to a coordinative function of both enriched […]
Gonglab’s 2017 Annual Summing-up Meeting was held on Jan 17 and 22. The winners of 2017 are: Research Star of Gonglab: Congling Hu (PhD) Piaoping Yang (Master) Best Newcommer: Gong Zhang 2nd Prize of Research Stars: Xiaoxia Chang, Sai Chen and Chengcheng Li 3rd Prize of Research Stars: Hao Li, Chengsheng Yang, Shenjun Zha and Wenjin […]
During photoelectrochemical water oxidation reaction process, excessive surface oxygen vacancies always trap the photogenerated holes and the surface recombination will be aggravated. We developed an ozone treatment method that could effectively heal surface oxygen vacancies and suppress the recombination of electron-hole pairs on the surface of two-dimensional WO3 nanoflakes. The ozone treatment method can oxidize […]
Tengfang passed his dissertation defense today. Congrats! The title of his thesis is “Study on the Catalytic Performances and Mechanism of Propane Dehydrogenation over Supported vanadium Catalysts”. He will start his new career in Huizhou Yussen Chemical Co.,Ltd. All the best, Tengfang!
Prof. Xiaodong Chen from Nanyang Technological University visits us today. He gave a talk titled “Mechanomaterials Design for Energy Storage”.
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 Prof. Zhi-Jian Zhao