Diego Troya

Research Interests

The Troya group is interested in a variety of problems in the molecular sciences ranging from chemical reactivity to structure and function. We leverage a wide array of computational techniques, including quantum-mechanical calculations and molecular-dynamics simulations, to investigate a kaleidoscopic portfolio of chemical problems of fundamental and applied interest. A distinguishing element of our research is our interest in collaborative research with experimentalists. We currently enjoy rewarding scientific collaborations with many research groups within the Chemistry department and beyond, with a focus on material synthesis, properties, and function. 

Guided by this scientifically rich, collaborative milieu, we have been recently interested in developing materials for chemical-warfare agent decontamination and for transformative storage of molecules of societal impact. Our most recent work examines the structure, properties, and chemistry of novel single-atom catalytic materials, including single atoms of platinum anchored on metal-oxide surfaces, and single atoms of Cu deposited on highly porous and robust metal-organic frameworks. The reactivity afforded by single transition-metal atoms supported on a variety of materials transcends the well-known elemental chemistry of extended surfaces and provides new avenues for advantageous molecular transformations. For instance, we expect that optimum single-atom materials will be able to catalytically decompose highly toxic nerve and vesicant agents more efficiently than extant materials.