Metal phosphides have the potential to combine the reactivity of noble metals with the thermal robustness of ceramic materials.  In this work, we use density functional theory to explore the adsorption properties of CH fragments at model metal phosphide surfaces, contrast the behavior or transition metals with their phosphide counter-parts, in particular the tendency for the phosphides to follow the scaling relationships commonly noted for metal surfaces, and consider the implications of these observations for the potential use of phosphides as dehydrogenation catalysts.

C-H activation chemistry at phosphide surfaces

255th National Meeting (2018)

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