Intermetallic compounds (IMCs) comprised of atomically ordered mixtures of non-noble transition metals and post-transition metal or semimetal elements exhibit unique and tunable surface chemistry that is of significant interest to the greater heterogeneous catalysis community. These unique properties are beneficial for reactions that require a specific degree of surface reactivity towards C–H, C–C, and C–O bonds of various saturations to produce improved catalytic activity and selectivity. Utilizing propane and methanol wet reforming as probes, appreciable activity and highly tunable selectivity could be achieved over Ni+Ga IMCs as particle size and surface composition were manipulated. Quantum chemical surface reaction modeling indicated that surface reactivity towards carbon, oxygen, and hydrogen could be tuned via p-block element selection as well as adjustment of the bulk and surface compositions, which allowed for control of C-H and C-C cleavage, hydrogenation, and surface oxidation ability. Depending upon the nature of the IMC, reforming product selectivity could be controlled between synthesis gas and CO-free H<sub>2</sub> production. Furthermore, the fundamental understanding that how to control the reaction energetics was developed by investigating the connections between IMC surface composition and critical reaction steps.

Investigation how to control surface reactivity towards carbon, oxygen, and hydrogen of intermetallic compounds in wet reforming of hydrocarbons and oxygenates

2019 Spring National Meeting

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