Prof. Ang Cao from Zhejiang University visited us today and gave a lecture with the title “Rational Design of Ammonia Synthesis Catalyst”
Continue readingProf. Felix Studt visited us today
Prof. Felix Studt visited us today and gave a lecture with the title “DFT & Kinetic Modeling of the Methanol to olifins process”
Continue readingProf. Jinlan Wang visited us today!
Prof. Jinlan Wang from School of Physics, Southeast University, China, visited us today and gave a lecture with the title “Machine Learning based Material Design and Synthesis with Small Datasets”.
Continue readingChem: Role of delocalized electrons on the doping effect in vanadia
Redox chemistry plays an important role in the precise production of targeted valuable chemicals. However, achieving accurate control of the redox process still lacks the guidance of mechanistic insight. This paper describes how doping can […]
Continue readingProf. Xiaona Li visited us today!
Prof. Xiaona Li from Institute of Chemistry, Chinese Academy of Science, China, visited us today and gave a lecture with the title “Reaction mechanism of CO, CO2 coversion catalyzed by metal clusters”.
Continue readingNature Nano: Designing single-site alloy catalysts using a degree-of-isolation descriptor
Geometrically isolated metal atoms in alloy catalysts can target efficient and selective catalysis. However, the geometric and electronic disturbance between the active atom and its neighbouring atoms, that is, diverse microenvironments, makes the active site […]
Continue readingAngew Chem: High-Throughput Screening of Electrocatalysts for Nitrogen Reduction Reactions Accelerated by Interpretable Intrinsic Descriptor
Numerous activity descriptors have been developed to rationally design single-atom catalysts (SACs), such as energy-based or electronic descriptors. However, their computationally costly and experimentally unobtainable properties limit the understanding of the structure-activity relationship to a […]
Continue readingJACS Au: Nature of Catalytic Behavior of Cobalt Oxides for CO2 Hydrogenation
Cobalt oxide (CoOx) catalysts are widely applied in CO2 hydrogenation but suffer from structural evolution during the reaction. Our recent study describes the complicated structure–performance relationship under reaction conditions. An iterative approach was employed to […]
Continue readingResearch: Dynamic Structure–Performance Relations of Electrochemical CO2 Reduction over SnOx Surfaces
Heterogeneous catalysts, especially metal oxides, play a curial role in improving energy conversion efficiency and production of valuable chemicals. However, the surface structure at the atomic level and the nature of active sites are still […]
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