TYC Online Seminar

Giannis Mpourmpakis, Bicentennial Alumni Faculty Fellow, Associate Professor

Department of Chemical and Petroleum Engineering

University of Pittsburgh

Thursday 24th September 2020
Time: 3-4pm
Venue: Zoom Meeting ID: 933 5117 9800 Password: TYCIGS
Contact: Michail Stamatakis

How Size, Shape and Metal Composition Affect Stability and Catalysis of Bimetallic Nanoparticles

Metal nanoparticles find tremendous applications in numerous and diverse areas, including medicine, catalysis, energy, and the environment. Despite these applications, the fundamentals of nanoparticle properties, such as stability and surface adsorption as a function of nanoparticle size, shape and metal composition are yet to be found. In this work, we blend first-principles calculations with computational modeling and machine learning to develop models able to capture thermodynamic stability, mixing properties and adsorption behavior of bimetallic nanoparticles of any morphology (size/shape) and metal composition. Our models are universal, rapid and able to capture a large number of computational and experimental data. Importantly, they take into consideration atomic level chemical bonding information on metal nanoparticles, revealing how different sites contribute to the overall property response on bimetallic nanoparticles. Overall, we demonstrate a methodology to accelerate the discovery of nanomaterials by rapidly screening bimetallic nanoparticles with targeted application performance.


Dr. Giannis Mpourmpakis is the Bicentennial Alumni Faculty Fellow, Associate Professor of Chemical Engineering at the University of Pittsburgh. He received his PhD from the Chemistry Department, at the University of Crete (Greece) and he was a Marie-Curie fellow and Senior Researcher at the Chemical Engineering Department, University of Delaware. His research focuses on the first-principles-based multiscale modeling of nanomaterials for energy and environmental applications. He has published ~100 research articles in high impact journals. He has received prestigious awards, such as the National Science Foundation CAREER award, he was named “Emerging Investigator” by the ACS Journal of Chemical & Engineering Data and he is the recipient of the 2019 Bodossaki Foundation Distinguished Young Scientist Prize (named the best Greek scientist around the world below the age of 40 in the field of Chemistry). For his contributions to education, Prof. Mpourmpakis was awarded the 2016 James Pommersheim Award for Excellence in Teaching in Chemical Engineering by the University of Pittsburgh. He has been serving as the President of the Pittsburgh-Cleveland Catalysis Society and he has organized several scientific sessions at international meetings.


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