Redox catalysts play a critical role in chemical looping oxidative dehydrogenation of propane (CL-ODH). However, challenges persist in modulating lattice oxygen in metal oxides and maintaining surface oxygen coverage to prolong the oxidative dehydrogenation stage. […]
Continue readingChem: Microenvironment engineering of non-noble metal alloy for selective propane dehydrogenation
Although non-noble metal catalysts are appealing for propane dehydrogenation, achieving high propylene selectivity remains a persistent challenge, which necessitates the regulation of catalytic microenvironment. In this study, we comparatively investigate three commonly used active metals […]
Continue readingNature Commun: Machine learning-assisted catalyst design with interpretable descriptors
Low-cost, efficient catalyst high-throughput screening is crucial for future renewable energy technology. Interpretable machine learning is a powerful method for accelerating catalyst design by extracting physical meaning but faces huge challenges. This paper describes an […]
Continue readingProf. Ang Cao visited us today!
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 […]
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