Graduate Student
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My research goal at SUNCAT is to develop novel catalyst materials from the first principles. Density functional theory calculations are employed to investigate the reaction pathways of catalytic reactions on the molecular scale. The scaling relations of adsorption energies are incorporated into a micro-kinetic model to derive the kinetics of catalytic reactions as functions of a few independent descriptors. The interpolation concept of adsorption energy is used to conveniently identify potentially interesting alloy catalyst materials. Currently, I am particualrly focused on developing novel catalyst materials for formic acid decomposition and the direct conversion of methane into methanol.
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