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.