Our publications

29. N. Inoglu, and J.R. Kitchin, Identification of sulfur tolerant bimetallic surfaces using DFT parameterized models and atomistic thermodynamics, ACS Catalysis, 1, 399-407 (2011). link.

28. Isabela C. Man, Hai-Yan Su, Federico Calle-Vallejo, Heine A. Hansen, José I. Martínez, Nilay G. Inoglu,  John Kitchin, Thomas F. Jaramillo, Jens K. Nørskov, Jan Rossmeisl*, Universality in Oxygen Evolution Electro-Catalysis on Oxide Surfaces, accepted ChemCatChem (Jan 2011).

27. Spencer D. Miller, Nilay İnoğlu, and John R. Kitchin*, Configurational correlations in the coverage dependent adsorption energies of oxygen atoms on late transition metal fcc (111) surfaces, accepted J. Chemical Physics, 134, 104709 (2011). link.

26. R. Chao, J. R. Kitchin, K. Gerdes, E. M. Sabolsky, and P. A. Salvador, Preparation of Mesoporous La_0.8Sr_0.2MnO₃ Infiltrated Coatings in Porous SOFC Cathodes Using Evaporation-Induced Self-Assembly Methods, ECS Transactions (Accepted January 2011).

25. W. Richard Alesi Jr., McMahan Gray, John R. Kitchin^†, CO₂ Adsorption on Supported Molecular Amidine Systems on Activated Carbon, ChemSusChem, 3(8), 948-956 (2010) Special issue on CO₂ capture and Sequestration. link.

24. Nilay Inoglu, John R. Kitchin^†, Simple model explaining and predicting coverage-dependent atomic adsorption energies on transition metal surfaces, Physical Review B, 82, 045414 (2010) link.

23. James R. Landon, John R. Kitchin^†, Electrochemical Concentration of Carbon Dioxide from an Oxygen/Carbon Dioxide Containing Gas Stream, J. Electrochem. Soc., 157, B1149-B1153 (2010). link.

22. Nilay Inoglu, John R. Kitchin^†, New Solid State Table: Estimating d-band Characteristics for Transition Metal Atoms, Molecular Simulation, 36(7), 633 (2010). link.

21. H. L. Tierney, A.E. Baber, J. R. Kitchin, and E. C. Sykes^†, Tuning palladium’s reactivity via atomic-level alloying in inert substrates, Physical Review Letters, 103, 246102 (2009). link.

20. Henry W. Pennline; Evan J. Granite^†, David R Luebke, John R Kitchin, James Landon, Lisa Weiland, Separation of CO₂ From Flue Gas Using Electrochemical Cells, Fuel, 89, 1307-1314 (2010). link.

19. J.R. Kitchin^†, Correlations in coverage dependent atomic adsorption energies on Pd(111), Physical Review B, 79, 205412 (2009). link.

18. 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, 35, 936-941, (2009). link.

17. N. Inoglu and J. R. Kitchin^†, Sulfur Poisoning of Water Gas Shift Catalysts: Site Blocking and Electronic Structure Modification, Molecular Simulation, 35, 920-927 (2009). link.

16. 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. link.

15. 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. link.

14. 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. link.

13. 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). link.

12. 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. link.

11. 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. link.

10. 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. link.

9.  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). link.

8. 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. link.

7. 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. link.

6. 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. link.

5. 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. link.

4. 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. link.

3. I.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. link.

2. 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. link.

1. 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. link.