Computational Surface Science and Catalysis Group

Hydrogen Activation

  1. “Stability of surface and subsurface hydrogen on and in Au/Ni near-surface alloys”, F. Celik and M. Mavrikakis, Surface Science , (2015). [DOI]

  2. “Significant Quantum Effects in Hydrogen Activation”, G. Kyriakou, E. R. M. Davidson, G. Peng, L. T. Roling, S. Singh, M. B. Boucher, M. D. Marcinkowski, M. Mavrikakis, A. Michaelides, E. C. H. Sykes, ACS Nano 8, 4827 (2014). [DOI]

  3. “Quantum Tunneling Enabled Self-Assembly of Hydrogen Atoms on Cu(111)”, A. D. Jewell, G. Peng, M. F. G. Mattera, E. A. Lewis, C. J. Murphy, G. Kyriakou, M. Mavrikakis, E. C. H. Sykes, ACS Nano 6, 10115(2012). [DOI]

  4. “Adsorbate-Induced Segregation in a PdAg Membrane Model System: Pd3Ag(111)”, I.-H. Svenum, J. A. Herron, M. Mavrikakis, H. J. Venvik, Catalysis Today 193, 111 (2012). [DOI]

  5. “Hydrogen Adsorption, Absorption and Diffusion on and in Transition Metal Surfaces: A DFT Study”, P. Ferrin, S. Kandoi, A. U. Nilekar, M. Mavrikakis, Surface Science 606, 679 (2012). [DOI]
    Read a commentary paper on publication # 105 by Prof. A. Groß

  6. “Hydrogen on and in Selected Overlayer near-Surface Alloys and the Effect of Subsurface Hydrogen on the Reactivity of Alloy Surfaces”, S. Kandoi, P. A. Ferrin, M. Mavrikakis, Topics in Catalysis 53, 384 (2010). [DOI]

  7. “Reduction of FeO/Pt(111) Thin Films by Exposure to Atomic Hydrogen”, J. Knudsen, L. R. Merte, L. C. Grabow, F. M. Eichhorn, S. Porsgaard, H. Zeuthen, R. T. Vang, E. Laegsgaard, M. Mavrikakis, F. Besenbacher, Surface Science 604, 11 (2010). [DOI]

  8. “Molecular and Atomic Hydrogen Interactions with Au-Ir near-Surface Alloys”, P. A. Ferrin, S. Kandoi, J. L. Zhang, R. Adzic, M. Mavrikakis, Journal of Physical Chemistry C 113, 1411 (2009). [DOI]

  9. “Manipulation and Patterning of the Surface Hydrogen Concentration on Pd(111) by Electric Fields”, T. Mitsui, E. Fomin, D. F. Ogletree, M. Salmeron, A. U. Nilekar, M. Mavrikakis, Angewandte Chemie-International Edition 46, 5757 (2007). [DOI]

  10. “Near-Surface Alloys for Hydrogen Fuel Cell Applications”, J. Greeley, M. Mavrikakis, Catalysis Today 111, 52 (2006). [DOI]

  11. “Surface and Subsurface Hydrogen: Adsorption Properties on Transition Metals and near-Surface Alloys”, J. Greeley, M. Mavrikakis, Journal of Physical Chemistry B 109, 3460 (2005). [DOI]

  12. “Effect of Sn on the Reactivity of Cu Surfaces”, A. A. Gokhale, G. W. Huber, J. A. Dumesic, M. Mavrikakis, Journal of Physical Chemistry B 108, 14062 (2004). [DOI]

  13. “A First-Principles Study of Surface and Subsurface H on and in Ni(111): Diffusional Properties and Coverage-Dependent Behavior”, J. Greeley, M. Mavrikakis, Surface Science 540, 215 (2003). [DOI]

  14. “A Mean-Field Modeling Study of the Interaction between Hydrogen and a Palladium(110) Single Crystal”, M. Mavrikakis, J. W. Schwank, J. L. Gland, Journal of Chemical Physics 105, 8398 (1996). [DOI]

  15. “Low-Temperature Hydrogenation of Cyclohexene by Energetic Forms of Hydrogen on the Ni(100) Surface”, K. A. Son, M. Mavrikakis, J. L. Gland, Journal of Physical Chemistry 99, 6270 (1995). [DOI]