題目：Toward Operando Simulation of Nanocatalysis
報(bào)告人：高嶷研究員（中國(guó)科學(xué)院上海高等研究院）
時(shí)間：2020年10月27日（周二）10:00
地點(diǎn)：明故宮校區(qū)A9-506室
主辦單位：機(jī)械結(jié)構(gòu)力學(xué)及控制國(guó)家重點(diǎn)實(shí)驗(yàn)室、微納器件系統(tǒng)研究所、校科協(xié)、航空學(xué)院
報(bào)告內(nèi)容摘要：
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 a series of 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.
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報(bào)告人簡(jiǎn)介：
高嶷，1997年和2002年分別獲得南京大學(xué)學(xué)士和博士學(xué)位。隨后在香港科技大學(xué)（2002-2004）和美國(guó)內(nèi)布拉斯加大學(xué)林肯分校（2004-2011）進(jìn)行博后研究。2012年在中科院上海應(yīng)用物理研究所擔(dān)任研究員。2018年起在中科院上海高等研究院擔(dān)任研究員。主要進(jìn)行理論化學(xué)、表面化學(xué)及能源材料的新理論和新模型的發(fā)展和應(yīng)用，系統(tǒng)研究納米材料結(jié)構(gòu)、性質(zhì)及應(yīng)用，提出配體金納米團(tuán)簇結(jié)構(gòu)的“全統(tǒng)一模型”。近年來聚焦于復(fù)雜體系的理論研究，提出真實(shí)反應(yīng)環(huán)境中“動(dòng)態(tài)界面”思想，獨(dú)立發(fā)展真實(shí)體系原位模擬的多尺度實(shí)時(shí)理論模擬方法。共發(fā)表學(xué)術(shù)論文150余篇，引用4000余次。近5年獨(dú)立/合作（通訊/共通訊）發(fā)表Science (1篇)、Nature Catalysis (1篇)、Nature Commun (3篇)、Science Adv (1篇)、PNAS (1篇)、PRL (2篇)、JACS (1篇)、Angew Chem (4篇)、Nano Lett (2篇)等學(xué)術(shù)論文60余篇。
