Center for Catalysis and Surface Science (CCSS) Student Seminar Series
Friday, February 20, 2025 | 12-1pm CT
Ryan Hall, 4003 | 2190 Campus Drive
Join the Center for Catalysis and Surface Science (CCSS) for the Student Seminar Series. Hear from graduate students and postdoctoral scholars during two presentations. This month's speakers are Dohun Kang from the Wolverton group and Zizhen Cai from the Dravid group.
About the Presentation
Speaker: Dohun Kang
Title: "Accelerating Materials Discovery through Uncertainty-Aware Tabular Transformers"
Abstract:
Multicomponent nanoparticles enable diverse property engineering in catalysis and energy conversion. High-throughput techniques like scanning probe block copolymer lithography (SPBCL) provide compositional gradients across 2D arrays for systematic synthesis, but physical constraints limit exploration of quaternary and higher-order phase spaces. Here, we combine Tabular Transformers with machine learning interatomic potential to navigate Pt-Pd-Cu-Ni catalyst space for hydrogen evolution. Our framework integrates experimental megalibrary data with computational adsorption energies, learning feature interactions and distribution patterns. Uncertainty quantification identifies high-confidence regions, reducing extrapolation errors by ~21% and doubling reliable discovery coverage to 21.6% of quaternary phase space, providing an efficient pathway for accelerated materials discovery.
Speaker: Zizhen Cai
Title: "In situ electron microscopy for surface reactions: radical-mediated polymerization in confined environments"
Abstract:
Surface reactions often involve transient intermediates and dynamic structural evolution that are difficult to capture using conventional ex situ characterization. In situ electron microscopy (EM) offers a direct pathway to visualize such processes in real space under working conditions, particularly in confined reaction environments. Here, we demonstrate an in situ EM platform enabled by ultrathin silicon nitride membranes, providing enhanced contrast and sensitivity for probing surface reactions. Following initial validation using a classical catalytic surface reaction, we focus on electron-beam-induced polymerization of hydrocarbon gases as a model system. Distinct polymer morphologies and growth dynamics are observed as a function of precursor chemistry, gas composition, and electron dose, consistent with radical-mediated surface reactions driven by electron radiolysis. This work establishes in situEM as a versatile approach for studying radical-mediated surface chemistry in confined environments.
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The mission of the Center for Catalysis and Surface Science (CCSS) is to promote interdisciplinary research fundamental to the discovery, synthesis, and understanding of catalysts and catalytic reactions essential to modern society. As a part of the Paula M. Trienens Institute for Sustainability and Energy, CCSS applies fundamental advances in catalysis science towards applications in alternative fuels, abatement of harmful emissions, resource recovery concepts, new processing routes, and many other strategies towards making chemicals more sustainable.