Catalysis at Metal Surfaces

Representative publications:

  1. A. Bajpai, P. Mehta, K. Frey, A. M. Lehmer, and W. F. Schneider. “Benchmark First-Principles Calculations of Adsorbate Free Energies.” ACS Catalysis 2018, 8(3),1945-1954. doi:10.1021/acscatal.7b03438

  2. A. Bajpai, K. Frey, and W. F. Schneider, “Binary Approach to Ternary Cluster Expansions: NO-O-Vacancy System on Pt(111),” J. Phys. Chem. C 2017, 121, 7344-7354. doi:10.1021/acs.jpcc.7b00914

  3. J. M. Bray and W. F. Schneider, “First-Principles Analysis of Structure Sensitivity in NO Oxidation on Pt,” ACS Catal., 2015, 5, 1087-1099. doi:10.1021/cs501783q

People:
    G. Laughlin, P. Mehta, H. Ma, C. Waitt, A. Goswami

Support: