Method developments
Method developments: (a) Methods to identify coherent states in organic small molecule-based materials; (b) Development and construction of activation energy surfaces and reaction energy surfaces in chemical reaction space for catalysis.
Recent publications related to this research area:
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Ruitao Wu and Lichang Wang, ChemPhysChem (2022)e202200132-13pgs: “Insights and Activation Energy Surface of the Dehydrogenation of C2HxO Species in Ethanol Oxidation Reaction on Ir(100)”.