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Adsorption energies, coverage dependence and phase behavior

  • J.R. Kitchin, Correlations in coverage dependent atomic adsorption energies on Pd(111), Physical Review B, 79, 205412 (2009).
  • S. D. Miller and J. R. Kitchin, Uncertainty and Figure Selection for DFT based Cluster Expansions for Oxygen Adsorption on Au and Pt (111) Surfaces, Submitted to Molecular Simulation, accepted February 2009.
  • N. Inoglu and J. R. Kitchin, Sulfur Poisoning of Water Gas Shift Catalysts: Site Blocking and Electronic Structure Modification, Molecular Simulation, accepted February 2009.
  • Miller, S.D. and J.R. Kitchin, Relating the coverage dependence of oxygen adsorption on Au and Pt fcc(1 1 1) surfaces through adsorbate-induced surface electronic structure effects. Surface Science, 2009. 603(5): p. 794-801.
  • N. Inoglu and J.R. Kitchin, Atomistic thermodynamics study of the adsorption and the effects of water-gas shift reactants on Cu catalysts under reaction conditions. Journal of Catalysis, 2009. 261(2): p. 188-194.
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