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. […]
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Chem: 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 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 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 […]
Continue readingProf. Zhao is appointed as Excutive Editor for Chem. Eng. Sci.
Prof. Zhao is appointed as Excutive Editor for Chem. Eng. Sci!
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