Title: Surface and Interface Regulation of LowDimensional Materials and Their Catalytic Performance

 Speaker: Researcher Shixuan Du (Institute of Physics, Chinese Academy of Sciences)

 Invited by: Prof. Xuehui Li

 Time: November 2, 2026 (Monday), 4:30 PM – 5:30 PM

 Venue: Large Conference Room, 4th Floor of the Shaw Engineering Building, Wushan Campus

 Organizer: School of Chemistry and Chemical Engineering

 Biography

 Shixuan Du is a research professor and group leader at the Institute of Physics, Chinese Academy of Sciences, and a Fellow of the Chinese Chemical Society. She has been awarded the National Science Fund for Distinguished Young Scholars, selected as a leading talent in the National Special Support Program for HighLevel Talents, and enjoys the Special Government Allowance of the State Council. Her longterm research focuses on theoretical studies and computational simulations of the selective assembly and activation mechanisms of molecules at surfaces and interfaces, as well as the structural and property modulation of lowdimensional materials. She has published more than 350 SCI papers in journals including Science, Nature and its sister journals, JACS, Angewandte Chemie, etc. Her achievements have been listed among the Top Ten Major Innovative Achievements of the Chinese Academy of Sciences and the Top Ten Scientific and Technological Progress News in China. She is the recipient of awards such as the China Young Female Scientist Award, Beijing Science and Technology Award, and Xie Xide Physics Prize.

 Abstract

 With the rapid advancement of energy transition and green chemistry, developing efficient, lowenergyconsumption and sustainable catalytic technologies has become a critical scientific and technological challenge. Lowdimensional materials and their surfaces and interfaces feature unique atomic coordination environments, electronic structures and local chemical properties, which bring new opportunities for tuning catalytic activity, reaction pathways and product selectivity. Atomicscale modulation strategies including defect engineering, elemental doping and interfacial structural design can modify the local chemical environment and electronic structure of catalytic active sites, adjust the adsorption of reactants, the stability of reaction intermediates and the energy barriers of key reaction steps, so as to realize precise regulation of catalytic activity and selectivity. This presentation focuses on catalytic processes in lowdimensional materials and surfaceinterface systems. Combined with theoretical calculations and microscopic mechanism analysis, it explores how atomicscale structures and local chemical environments affect catalytic reactions, reveals the intrinsic mechanisms governing catalytic activity, reaction pathways and selectivity, and provides theoretical foundations for the rational design and performance optimization of new highefficiency catalytic materials.

 Announced by School of Chemistry and Chemical Engineering.