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- Info
Our publications
- 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, Molecular Simulation, 2009. 35(10), 920.
- N. Inoglu and J. R. Kitchin†, Sulfur Poisoning of Water Gas Shift Catalysts: Site Blocking and Electronic Structure Modification, Molecular Simulation, 2009. 35(10), 936.
- Han, J.W., J.R. Kitchin, and D.S. Sholl, Step decoration of chiral metal surfaces. The Journal of Chemical Physics, 2009. 130(12): p. 124710-8.
- 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.
- *J.R. Kitchin†, K. Reuter, and M. Scheffler, Alloy surface segregation in reactive environments: A first-principles atomistic thermodynamics study of Ag3Pd(111) in oxygen atmospheres, Physical Review B, 2008. 77, 075437 (12 pages).
- J.R. Kitchin, J.K. Nørskov, M.A. Barteau, and J.G. Chen, Trends in the chemical properties of early transition metal carbide surfaces: A density functional study. Catalysis Today, 2005. 105(1): p. 66-73.
- J.K. Nørskov, T. Bligaard, A. Logadottir, J.R. Kitchin, J.G. Chen, and S. Pandelov, Trends in the exchange current for hydrogen evolution, Journal of the Electrochemical Society, 2005. 152(3): p. J23-J26.
- *J.K. Nørskov, J. Rossmeisl, A. Logadottir, L. Lindqvist, J.R. Kitchin, T. Bligaard, and H. Jonsson, Origin of the overpotential for oxygen reduction at a fuel-cell cathode. Journal of Physical Chemistry B, 2004. 108(46): p. 17886-17892.
- *J.R. Kitchin, J.K. Nørskov, M.A. Barteau, and J.G. Chen, Role of strain and ligand effects in the modification of the electronic and chemical properties of bimetallic surfaces. Physical Review Letters, 2004. 93(15), 156801 (4 pages).
- A.B. Mhadeshwar, J.R. Kitchin, M.A. Barteau, and D.G. Vlachos, The role of adsorbate-adsorbate interactions in the rate controlling step and the most abundant reaction intermediate of NH3 decomposition on Ru. Catalysis Letters, 2004. 96(1-2): p. 13-22.
- *J.R. Kitchin, J.K. Nørskov, M.A. Barteau, and J.G. Chen, Modification of the surface electronic and chemical properties of Pt(111) by subsurface 3d transition metals. Journal of Chemical Physics, 2004. 120(21): p. 10240-10246.
- J.R. McCormick, J.R. Kitchin, M.A. Barteau, and J.G. Chen, A four-point probe correlation of oxygen sensitivity to changes in surface resistivity of TiO2(001) and Pd-modified TiO2(001). Surface Science, 2003. 545(1-2): p. L741-L746.
- *J.R. Kitchin, N.A. Khan, M.A. Barteau, J.G. Chen, B. Yakshinksiy, and T.E. Madey, Elucidation of the active surface and origin of the weak metal-hydrogen bond on Ni/Pt(111) bimetallic surfaces: a surface science and density functional theory study. Surface Science, 2003. 544(2-3): p. 295-308.
- J.R. Kitchin, M.A. Barteau, and J.G. Chen, A comparison of gold and molybdenum nanoparticles on TiO2(110) 1 x 2 reconstructed single crystal surfaces. Surface Science, 2003. 526(3): p. 323-331.
- K. Song, J.R. Kitchin, and M.A. Barteau, H3PW12O40-functionalized tip for scanning tunneling microscopy. Proceedings of the National Academy of Sciences of the United States of America, 2002. 99: p. 6471-6475.
- D.A. Shultz, A.K. Boal, D.J. Driscoll, G.T. Farmer, J.R. Kitchin, D.B. Miller, and G.N. Tew, Preparation of paramagnetic ligands for coordination-complexes and networks with interesting magnetic properties. Molecular Crystals and Liquid Crystals Science and Technology Section a-Molecular Crystals and Liquid Crystals, 1997. 305: p. 303-310.
- D.A. Shultz, A.K. Boal, D.J. Driscoll, J.R. Kitchin, and G.N. Tew, Preparation and Characterization of a Bis-Semiquinone - a Bidentate Dianion Biradical. Journal of Organic Chemistry, 1995. 60(12): p. 3578-3579.
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