Ilaria Fratoddi ha il piacere di invitarvi all'evento:
Bridging new Collaborations: A Dialogue with the Center for Low-Carbon Conversion Science and Engineering
L'evento, incentrato sulla ricerca sui combustibili alternativi al carbonio, sarà costituito da tre seminari tenuti lunedì 30 giugno alle ore 15.00 in Sala Parravano (ed. CU014):
ore 15:00: “CCUS application in carbon neutrality” - Prof. Hui Wang
ore 15:30: “CO2 Hydrogenation to Chemicals and Liquid Fuels” - Prof. Peng Gao
ore 16:00: “Computational Study of Heterogeneous Catalysts for CO2 Hydrogenation: Towards Rational Design of Efficient Catalysts” - Prof. Shenggang Li
Abstract
Prof. Hui Wang: “CCUS application in carbon neutrality”
The excessive emission of CO2 has caused severe climate changes and the waste of carbon resources. If CO2 is regarded as a new carbon source and combined with green hydrogen, it can be converted into a variety of high-value chemicals. Methanol Economy is an important means to achieve carbon neutrality, as methanol can be served as a green fuel and carrier of hydrogen. In this talk, we will discuss the progress and engineering aspects of CO2 hydrogenation to produce green methanol. Besides, the progress of CO2 hydrogenation to other oxidized chemicals will also be introduced, thereby promoting the application in carbon neutrality.
Prof. Peng Gao: “CO2 Hydrogenation to Chemicals and Liquid Fuels”
The hydrogenation of carbon dioxide (CO2) to produce chemicals and transportation liquid fuels in huge demand via heterogeneous thermochemical catalysis achieved using renewable energy has received increasing attention, and substantial advances have been made in this research field in recent years. In this presentation, we summarize our progress in the rational design and construction of highly efficient catalysts for CO2 hydrogenation to methanol, higher alcohols, olefins, aromatics, and gasoline- and jet fuel-range hydrocarbons. The structure–performance relationship, the nature of the active sites, and mechanism of the reactions occurring over these catalysts are extensively explored by combining computational and experimental evidence. We hope that this presentation will promote further fundamental studies and
industrial applications of heterogeneous catalysts for CO2 hydrogenation to produce bulk chemicals and liquid fuels.
Prof. Shenggang Li: “Computational Study of Heterogeneous Catalysts for CO2 Hydrogenation: Towards
Rational Design of Efficient Catalysts”
CO2 hydrogenation using renewable hydrogen is an eco-friendly and viable approach for the sustainable synthesis of chemicals and fuels. Despite the extensive mechanistic studies on the relevant catalyst materials, such as the In2O3-based catalysts for the rather simple CO2 hydrogenation to methanol reaction, there remain debates on the catalyst structure under the reaction condition and the quantitative structure-activity relationship, which hinders the rational design of these catalysts. Through density function theory calculations and microkinetic simulations, we examined the reaction pathways and kinetics of different model surfaces of In2O3-based catalysts and showed that both the surface structure and the coordination environment of the active site significantly affected the catalytic activity and product selectivity. These computational simulations further lead to the rational design of both hexagonal In2O3 and Ni or Pt atomically dispersed In2O3 catalysts. Recently, we further extend our computational studies to the CO2 hydrogenation reactions for synthesizing multi-carbon products, such as alcohols, olefins, and aromatics. This presentation will also cover how interfacial sites were designed to promote the C-C coupling reactions to produce these value-added products.
Hui Wang, professor, the deputy director of Low-carbon conversion science and engineering center in SARI. Her main research focuses on the efficient utilization of gas carbon/solid carbon resources. She is engaged in using CO₂ and waste plastics as potential carbon sources to produce high-value chemicals such as green methanol, ethanol, and aldehydes, and is working on building an "artificial carbon cycle" system. She has taken the lead in completing a 5,000 ton/y industrial demonstration of green methanol and is currently carrying out industrial applications. She has published more than 60 papers in journals such as JACS, Chem, and Angew, and has obtained more than 50 patents.
Prof. Peng Gao’s research interests mainly focus on the conversion of carbon one molecular (CO2, CO and CH3OH, etc.) into chemicals and fuels via heterogeneous catalysis. He has been published in more than 80 papers in international journals such as Nature Chemistry, Science Advances, Chem, Angewandte Chemie−International Edition, The Innovation, and ACS Catalysis, which have been cited more than 7000 times (H index = 42). Peng Gao was awarded as one of the top 1% of highly cited authors in Royal Society of Chemistry journals, 2019, and World's Top 2% Scientists 2021–2024. He joined the Editorial Board of Chinese Journal of Catalysis in 2022, SCIENCE CHINA Chemistry in 2023, and Carbon and Hydrogen in 2024. He has obtained awards from the Catalysis Rising Star Award from the Catalysis Society of China in 2021, Shanghai Academic Research Leader in 2022, Top Young Talents in Shanghai and Shanghai Rising−Star Award in 2019, Industrial & Engineering Chemistry Research 2022 Excellence in Review Awards, and Journal of Energy Chemistry Best Reviewer Award 2021 and 2023.
Prof. Shenggang Li earned his Ph.D. from University of Kentucky in 2004. After spending several years working at The University of Alabama, he joined Shanghai Advanced Research Institute, Chinese Academy of Sciences in 2011. Over the past decade, he mainly worked on computational simulations of heterogeneous catalytic reactions for the production of fuels and chemicals from C1 chemicals, such as oxidative coupling of methane, CO and CO2 hydrogenation, which leads to the computer-aided design of several indium oxide-based catalysts for CO2 hydrogenation to methanol. He has published about 200 research papers, review articles and book chapters, and received funding from national, provincial funding agencies and commercial companies.