Our new proposal focusing on CO2 reduction collaborated with Prof. Lyudmila Moskaleva at University of the Free State was approved! 2022-2023: “The development of efficient catalysts for CO2 (photo-)electro reduction”, PI
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New funding approved: Rational design of heterogenous catalyst by novel computational methodology
New funding was approved from Ministry of Science and Technology of the People’s Republic of China: 2022-2026: “Rational design of heterogenous catalyst by novel computational methodology”, co-PI
Continue readingAngew Chem: Moderate Surface Segregation Promotes Selective Ethanol Production in CO2 Hydrogenation Reaction over CoCu Catalysts
A method is described for theory-based catalyst optimization of CoCu alloys in CO2 hydrogenation. Moderate Co surface segregation, boosted ethanol production, and suppressed methane generation suggest that theory-guided catalyst optimization could be beneficial in similar alloy […]
Continue readingNature Commun: Efficient CO2 electroreduction on facet-selective copper films with high conversion rate
Tuning the facet exposure of Cu could promote the multi-carbon (C2+) products formation in electrocatalytic CO2 reduction. Here we report the design and realization of a dynamic deposition-etch-bombardment method for Cu(100) facets control without using capping […]
Continue readingOur recent study was highlighted by C&EN (ACS)
Our recent publication on Nature Communications was highlighted by C&EN: Study distinguishes structure and function of catalytically active sites on copper that reduce CO₂ Prof. Dr. Kazunari Domen of the University of Tokyo believes our […]
Continue readingNature Commun: The nature of active sites for carbon dioxide electroreduction over oxide-derived copper catalysts
The active sites for CO2 electroreduction (CO2R) to multi-carbon (C2+) products over oxide-derived copper (OD-Cu) catalysts are under long-term intense debate. This paper describes the atomic structure motifs for product-specific active sites on OD-Cu catalysts in […]
Continue readingAngew Chem: Coupling of Cu(100) and (110) Facets Promotes Carbon Dioxide Conversion to Hydrocarbons and Alcohols
Copper can efficiently electro‐catalyze carbon dioxide reduction to C2+ products (C2H4, C2H5OH, n‐propanol). However, the correlation between the activity and active sites remains ambiguous, impeding further improvements in their performance. In this paper, the facet effect […]
Continue readingProf. Zhi-Pan Liu visited us today!
Prof. Zhi-Pan Liu from Fudan University, China, visited us today and gave an IREC2 lecture with the title “A new computational method based on machine learning and its application in chemical reactions”. How to design […]
Continue readingProf. Zhao is a recipient of “The Best Ten Graduate Advisors of Tianjin University”!
Prof. Zhao is a recipient of “The Best Ten Graduate Advisors of Tianjin University”!
Continue readingACS Energy Lett: Tuning Oxygen Vacancies of Oxides to Promote Electrocatalytic Reduction of Carbon Dioxide
Tin oxide (SnOx) has emerged as a promising metal oxide catalyst for the CO2 reduction reaction (CO2RR) into value-added chemicals such as formic acid/formate. However, the improvement of SnOx catalytic performance is hindered by its […]
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