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12月23日 Toward Operando Simulation of Nanocatalysis

报告人:高


告摘要:The size and structure of nanomaterials are crucial for their catalytic activities. How to understand and even control the size and structural evolution of nanocatalysts under reaction condition is a big challenge in heterogeneous catalysis. With the development of advanced in-situ techniques, the variation of size and structures of nanomaterials have been observed and real-time tracked. However, despite the experimental achievements, the understanding and precise prediction of these evolutions is still a challenging and demanding task. Herein, we developed the multi-scale models to quantitatively simulate the static and dynamic structural and activities’ evolution of metal nanoparticles under different experimental conditions, including size, composition, temperature, pressure, gas/liquid, gas mixtures and supports. Moreover, we also reported the recent advancements on the structural evolution of supports and interface during reaction conditions. Our work offers possibilities for obtaining atomic-scale structures and insights beyond the experimental limits.


报告人简历:高嶷,1997年和2002年分别获得南京大学学士和博士学位。随后在香港科技大学(2002-2004)和美国内布拉斯加大学林肯分校(2004-2011)进行博后研究。2012年在中科院上海应用物理研究所担任研究员。2018年起在中科院上海高等研究院担任研究员。主要从事理论化学、表面化学及能源材料的新理论和新模型的发展,系统研究纳米材料结构、性质及应用。近年来聚焦于复杂体系的理论研究,发展真实环境下纳米材料的多尺度实时原位模拟理论和方法。共发表学术论文150余篇,引用4000余次。近5年以通讯作者(含共同通讯)发表Science、Nature Catalysis、Nature Commun、Science Adv、PNAS、PRL、JACS、Angew Chem等学术论文60余篇。


报告时间:2020年12月23日 上午10:00-11:00

报告地点:会议中心二层报告厅


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