About the Rappe Group
The Rappe Group engages in theoretical investigation to explain and predict the properties of a broad spectrum of fascinating chemical systems, from small molecules to complex lattices.
The group interests cover a wide range of topics involving primarily condensed-matter theory. We employ theory, simulations, and quantum mechanical modeling to understand the physical and chemical properties of bulk, surfaces, and interfaces; ultimately, so that we may take advantage of these properties to address current needs in the field of energy, electronics, sensors, and catalysis.
Please refere to the list here no. 346.
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- J. Yang, Y. Qi, H.D. kim, and A. M. Rappe, “Mechanism of benzene tribopolymerization on the RuO2(110) surface”, Phys. Rev. Appl. 9, 044038(1-6) (2018) PDF
- A. B. Laursen, R. B. Wexler, M. J. Whitaker, E. J. Izett, K. U. D. Calvinho, S. Hwang, R. Rucker, H. Wang, J. Li, E. Garfunkel, M. Greenblatt, A. M. Rappe, and G. C. Dismukes, “Climbing the volcano of electrocatalytic activity while avoiding catalyst corrosion: Ni3P, a hydrogen evolution electrocatalyst stable in both acid and alkali”, ACS Catal. 8, 4408-4419 (2018) PDF