Shape-controlled oxide nanocrystals are good models for understanding the structure – catalysis relationship. In this talk, I will share two cases of oxide nanoshapes for alcohol conversion with detailed mechanistic and kinetic investigations. The first case is methanol dimerization over TiO2 nanoshapes and the second one is ethanol dehydrogenation over SrTiO3 nanoshapes. In situ spectroscopy, adsorption microcalorimetry, scanning transmission electron microscopy, reactivity test and density functional theory (DFT) were employed to study the reaction mechanism and kinetics over these oxide nanocrystals. The effect of shape, i.e., surface facet, as well as the surface reconstruction of the oxides will be illustrated on the mechanism and kinetics in alcohol conversion. Acknowledgements: This research is sponsored by the U.S. Department of Energy, Office of Science, Office of Basic Energy Sciences, Chemical Sciences, Geosciences, and Biosciences Division. Part of the work was conducted at the Center for Nanophase Materials Sciences, which is a DOE Office of Science User Facility. This research used resources of the National Energy Research Scientific Computing Center, a DOE Office of Science User Facility supported by the Office of Science of the U.S. Department of Energy under Contract No. DE-AC02-05CH11231.

Kinetics and mechanism of alcohol conversion over shape-controlled oxide nanocrystals

255th National Meeting (2018)

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