John Kitchin
Associate Professor of Chemical Engineering

Office: Doherty Hall A207F
Phone: (412) 268-7803
Fax: (412) 268-7139
Email: jkitchin@andrew.cmu.edu
Secretary: Shirley Pavlischak
    Phone: (412) 268-2251
    Fax: (412) 268-7139
    Email: shirleyp@andrew.cmu.edu

Biography
Research Interests
Highlights
Awards and Honors
Publications

Research Group Site
US-Korea Nanotechnology Forums

Biography

Professor John Kitchin received his BS in Chemistry from North Carolina State University in 1996. Working as a Chemist for Lord Corporation, he developed new magneto-rheological fluid formulations with enhanced stability. Returning to academics, he received an MS in Materials Science in 2002 and his PhD in Chemical Engineering in 2004, both from the University of Delaware. Prof. Kitchin then was a postdoctoral fellow at the Fritz Haber Institut der Max Planck Gesellschaft in 2004 - 2005. He joined Carnegie Mellon University as an Assistant Professor in 2006 and became a Resident Institute Fellow at the National Energy Technology Laboratory in 2007. In 2008 he became the leader of the carbon management thrust area for NETL.

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Research Interests

Professor Kitchin's research group focuses on energy and environmental applications of electrochemistry and in computational methods for studying chemical reactions at catalyst surfaces. He investigates CO2 capture and utilization, electrochemistry, fuel cells, and multiscale ab initio modeling of heterogeneous catalysis.

CO₂ Capture and Utilization
One way to minimize the impact of CO2 emissions from power generation by fossil fuel combustion is to capture the CO2 for eventual sequestration. We are investigating electrochemical membranes and other electrochemical processes as methods for capturing the CO2 from the exhaust gas in a power plant. These processes could be superior to existing methods due to their simplicity and use of less toxic materials. We are also investigating electrochemical strategies for capturing CO2 directly from the air and conversion of that CO2 to synthetic fuels such as methanol using renewable energy as part of a comprehensive carbon management plan.

Fuel Cells
We are developing new electrocatalysts for fuel cells that utilize alcohol fuels that can be produced renewably such as methanol and glycerin (a byproduct of biodiesel). We are developing synthesis methods to create high surface area core-shell electrocatalysts where the core is a relatively cheap metal and the shell is an active alloy electrocatalyst. We are also beginning a new project in solid oxide fuel cells to use vibrational spectroscopy to characterize molecular intermediates at the cathode where oxygen is reduced.

Interactions between Adsorbates on Catalyst Surfaces
Understanding how molecules interact with each other on catalyst surfaces and being able to accurately predict their behavior as a function of concentration on the surface is a major challenge. We are developing new methods that use quantum mechanical calculations to parameterize a simpler, faster method that can then be used to predict phase behavior quantitatively in statistical mechanical simulations. We are focusing on oxygen interactions on transition metal and alloy surfaces and are identifying correlations in the phase behavior of oxygen on different metal surfaces. These studies may help us understand the preliminary stages of metal oxidation. We are also interested in the phase behavior of sulfur on transition metal surfaces and how sulfur affects the reaction pathways in synfuel synthesis.

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Highlights

• Received personal highest FCE instructor score for Chemical Reaction Engineering.

• Nilay Inoglu won the Dowd-ICES graduate fellowship award and an international travel grant

• Gave invited departmental seminars (U. Pitt and Ga. Tech) and one at Exxon Mobil

• Coordinated around 40 proposals in carbon management (capture, sequestration, risk assessment and conversion) for the IAES

• Created a new advising website (http://advising.cheme.cmu.edu) and helped develop a new advising model for the chemical engineering department

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Awards and Honors

• Department of Energy Early Career Award.

• Wimmer Faculty Fellow, CMU, 2008.

• Alexander von Humboldt Postdoctoral Research Fellow, 2004-2005.

• American Vacuum Society Russell & Sigurd Varian Award, 2003.

• National Science Foundation Graduate Research Fellowship, 2000.

• George W. Laird Fellowship, 2000.

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Publications

       Recent Publications

       Selected Publications

       Full Publications

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Recent Publications

H. L. Tierney, A.E. Baber, E. C. Sykes†, and J. R. Kitchin, Tuning palladium’s reactivity via atomic-level alloying in inert substrates, Physical Review Letters, 103, 246102 (2009). Times cited: 0. link.

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 (2009). Times cited: 0. link.

J.R. Kitchin†, Correlations in coverage dependent atomic adsorption energies on Pd(111), Physical Review B, 79, 205412 (2009). Times cited: 0. link.

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 Simulations, 35, 936-941, (2009). Times cited: 1. link.

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.

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. Times cited: 0. link.

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. Times cited: 5. link.

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. Times cited: 2. link.

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.

S. D. Miller and J. R. Kitchin†, Relating the coverage dependence of oxygen adsorption on Au and Pt fcc(111) surfaces through adsorbate-induced surface electronic structure effects, accepted in Surface Science, 2009. 603(5): p. 794-801

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Selected Publications

"Trends in the electronic structure and chemical properties of metal-terminated close-packed early transition metal carbide surfaces", Kitchin, J. R.; Nørskov, J. K.; Barteau, M. A.; and J. G. Chen, Catalysis Today 105(1) 66-73 (2005).

"Trends in the exchange current for hydrogen evolution", Nørskov, J. K. ; Bligaard, T.; Logadottir, A.; Kitchin, J. R.; Chen, J. G.; Pandelov, S.; and Stimming U., J. Electrochem. Soc. 152(3) (2005).

"The origin of the overpotential for oxygen reduction at a fuel cell cathode", Nørskov, J. K.; Rossmeisl, J.; Logadottir, A.; Lindqvist, L.; Kitchin, J. R.; Bligaard, T., J. Phys. Chem. B 108, 17886-17892 (2004).

"The role of strain and ligand effects in the modification of the electronic and chemical properties of bimetallic surfaces", Kitchin, J.R.; Nørskov, J.K., Barteau, M.A.; Chen, J.G., Phys. Rev. Lett. 93(15), 156801 (2004).

"The Role of Adsorbate-adsorbate Interactions in the Rate Controlling Step and the Most Abundant Reaction Intermediate of NH3 Decomposition on Ru", Mhadeshwar, A.B.; Kitchin, J.R.; Barteau, M.A.; Vlachos, D.G., Catal. Lett. 96(1-2), 13-22 (2004).

"Modification of the Surface Electronic and Chemical Properties of Pt(111) by Subsurface 3d Transition Metals", Kitchin, J.R.; Nørskov, J.K., Barteau, M.A.; Chen, J.G., J. Chem. Phys. 120, 10240-10246 (2004).

"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", Kitchin, J.R.; Khan, N.A.; Barteau, M.A.; Chen, J.G.; Yakshinskiy, B.; Madey, T.E., Surface Science 544(2-3), 295-308 (2003).

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Full Publications

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.

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.

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.

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.

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.

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.

7. 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.

8. 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.

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).

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.

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.

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.

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).

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.

15. S. D. Miller and J. R. Kitchin, Relating the coverage dependence of oxygen adsorption on Au and Pt fcc(111) surfaces through adsorbate-induced surface electronic structure effects.Surface Science, 2009. 603(5): p. 794-801. Times cited: 5. link.

16. Jeong Woo Han, John R. Kitchin, and David S. Sholl†, Step Decoration of Chiral Metal Surfaces. The Journal of Chemical Physics, 2009. 130(12): p. 124710-8. Times cited: 0. link.

17. J. R. Kitchin, Correlations in coverage dependent atomic adsorption energies on Pd(111), Physical Review B, 79, 205412 (2009). Times cited: 0. 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 Simulations, 35, 936-941, (2009). Times cited: 1. link.

19. 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). H. L. Tierney,1 A.E. Baber, E. C. Sykes†, and J. R. Kitchin, Tuning palladium’s reactivity via atomic-level alloying in inert substrates,Physical Review Letters, 103, 246102 (2009). Times cited: 0. 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 (2009). Times cited: 0. link.

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