- About this Journal ·
- Abstracting and Indexing ·
- Advance Access ·
- Aims and Scope ·
- Article Processing Charges ·
- Articles in Press ·
- Author Guidelines ·
- Bibliographic Information ·
- Citations to this Journal ·
- Contact Information ·
- Editorial Board ·
- Editorial Workflow ·
- Free eTOC Alerts ·
- Publication Ethics ·
- Reviewers Acknowledgment ·
- Submit a Manuscript ·
- Subscription Information ·
- Table of Contents
Advances in Physical Chemistry
Volume 2011 (2011), Article ID 305634, 8 pages
Hydrogen Adsorption on Palladium and Platinum Overlayers: DFT Study
1Faculty of Physical Chemistry, University of Belgrade, Studentski trg 12-16, 11158 Belgrade, Serbia
2Serbian Academy of Sciences and Arts, Knez Mihajlova 35, 11185 Belgrade, Serbia
Received 15 February 2011; Accepted 13 May 2011
Academic Editor: Milan M. Jaksic
Copyright © 2011 Igor A. Pašti et al. This is an open access article distributed under the Creative Commons Attribution License, which permits unrestricted use, distribution, and reproduction in any medium, provided the original work is properly cited.
- N. M. Marković and P. N. Ross Jr., “Surface science studies of model fuel cell electrocatalysts,” Surface Science Reports, vol. 45, no. 4–6, pp. 117–229, 2002.
- N. M. Marković, B. N. Grgur, and P. N. Ross Jr., “Temperature-dependent hydrogen electrochemistry on platinum low-index single-crystal surfaces in acid solutions,” Journal of Physical Chemistry B, vol. 101, no. 27, pp. 5405–5413, 1997.
- N. M. Marković, S. T. Sarraf, H. A. Gasteiger, and P. N. Ross, “Hydrogen electrochemistry on platinum low-index single-crystal surfaces in alkaline solution,” Journal of the Chemical Society, vol. 92, no. 20, pp. 3719–3725, 1996.
- J. Barber, S. Morin, and B. E. Conway, “Specificity of the kinetics of H2 evolution to the structure of single-crystal Pt surfaces, and the relation between opd and upd H,” Journal of Electroanalytical Chemistry, vol. 446, no. 1-2, pp. 125–138, 1998.
- J. H. Barber and B. E. Conway, “Structural specificity of the kinetics of the hydrogen evolution reaction on the low-index surfaces of Pt single-crystal electrodes in 0.5 M dm−3 NaOH,” Journal of Electroanalytical Chemistry, vol. 461, no. 1-2, pp. 80–89, 1999.
- N. M. Marković, C. A. Lucas, V. Climent, V. Stamenković, and P. N. Ross, “Surface electrochemistry on an epitaxial palladium film on Pt(111): surface microstructure and hydrogen electrode kinetics,” Surface Science, vol. 465, no. 1-2, pp. 103–114, 2000.
- M. Baldauf and D. M. Kolb, “A hydrogen adsorption and absorption study with ultrathin Pd overlayers on Au(111) and Au(100),” Electrochimica Acta, vol. 38, no. 15, pp. 2145–2153, 1993.
- L. A. Kibler, “Dependence of electrocatalytic activity on film thickness for the hydrogen evolution reaction of Pd overlayers on Au(1 1 1),” Electrochimica Acta, vol. 53, no. 23, pp. 6824–6828, 2008.
- L. A. Kibler, A. M. El-Aziz, R. Hoyer, and D. M. Kolb, “Tuning reaction rates by lateral strain in a palladium monolayer,” Angewandte Chemie—International Edition, vol. 44, no. 14, pp. 2080–2084, 2005.
- J. Zhang, M. B. Vukmirovic, K. Sasaki, A. U. Nilekar, M. Mavrikakis, and R. R. Adzic, “Mixed-metal Pt monolayer electrocatalysts for enhanced oxygen reduction kinetics,” Journal of the American Chemical Society, vol. 127, no. 36, pp. 12480–12481, 2005.
- V. Stamenković, T. J. Schmidt, P. N. Ross, and N. M. Marković, “Surface composition effects in electrocatalysis: Kinetics of oxygen reduction on well-defined Pt3Ni and Pt3Co alloy surfaces,” Journal of Physical Chemistry B, vol. 106, no. 46, pp. 11970–11979, 2002.
- J. Greeley and M. Mavrikakis, “Alloy catalysts designed from first principles,” Nature Materials, vol. 3, no. 11, pp. 810–815, 2004.
- A. Roudgar and A. Groß, “Local reactivity of thin Pd overlayers on Au single crystals,” Journal of Electroanalytical Chemistry, vol. 548, pp. 121–130, 2003.
- A. Roudgar and A. Groß, “Local reactivity of metal overlayers: density functional theory calculations of Pd on Au,” Physical Review B, vol. 67, no. 3, Article ID 033409, 4 pages, 2003.
- J. Meier, K. A. Friedrich, and U. Stimming, “Novel method for the investigation of single nanoparticle reactivity,” Faraday Discussions, vol. 121, pp. 365–372, 2002.
- E. Santos, P. Quaino, P. F. Hindelang, and W. Schmickler, “Hydrogen evolution on a pseudomorphic Cu-layer on Ni(1 1 1)—a theoretical study,” Journal of Electroanalytical Chemistry, vol. 649, no. 1-2, pp. 149–152.
- E. Santos, P. Quaino, and W. Schmickler, “On the electrocatalysis of nanostructures: monolayers of a foreign atom (Pd) on different substrates M(1 1 1),” Electrochimica Acta, vol. 55, no. 14, pp. 4346–4352, 2010.
- B. E. Conway and G. Jerkiewicz, “Relation of energies and coverages of underpotential and overpotential deposited H at Pt and other metals to the “volcano curve” for cathodic H2 evolution kinetics,” Electrochimica Acta, vol. 45, no. 25-26, pp. 4075–4083, 2000.
- P. Giannozzi, S. Baroni, N. Bonini et al., “QUANTUM ESPRESSO: a modular and open-source software project for quantum simulations of materials,” Journal of Physics Condensed Matter, vol. 21, no. 39, Article ID 395502, 2009.
- J. P. Perdew, K. Burke, and M. Ernzerhof, “Generalized gradient approximation made simple,” Physical Review Letters, vol. 77, no. 18, pp. 3865–3868, 1996.
- H. J. Monkhorst and J. D. Pack, “Special points for Brillouin-zone integrations,” Physical Review B, vol. 13, no. 12, pp. 5188–5192, 1976.
- W. Humphrey, A. Dalke, and K. Schulten, “VMD: visual molecular dynamics,” Journal of Molecular Graphics, vol. 14, no. 1, pp. 33–38, 1996.
- M. T. M. Koper, “Ab initio quantum-chemical calculations in electrochemistry,” in Modern Aspects of Electrochemistry, Number 36, C. G. Vayenas, B. E. Conway, and R. E. White, Eds., chapter 2, Kluwer Academic/Plenum Publishers, New York, NY, USA, 2003.
- A. Ruban, B. Hammer, P. Stoltze, H. L. Skriver, and J. K. Nørskov, “Surface electronic structure and reactivity of transition and noble metals,” Journal of Molecular Catalysis A, vol. 115, no. 3, pp. 421–429, 1997.
- 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, vol. 93, no. 15, pp. 156801–4, 2004.
- M. Mavrikakis, B. Hammer, and J. K. Nørskov, “Effect of strain on the reactivity of metal surfaces,” Physical Review Letters, vol. 81, no. 13, pp. 2819–2822, 1998.
- B. Hammer and J. K. Nørskov, “Electronic factors determining the reactivity of metal surfaces,” Surface Science, vol. 343, no. 3, pp. 211–220, 1995.
- Y. Ma and P. B. Balbuena, “Pt surface segregation in bimetallic Pt3M alloys: a density functional theory study,” Surface Science, vol. 602, no. 1, pp. 107–113, 2008.
- R. Parsons, “The rate of electrolytic hydrogen evolution and the heat of adsorption of hydrogen,” Transactions of the Faraday Society, vol. 54, pp. 1053–1063, 1958.
- S. Trasatti, “The work function in electrochemistry,” Advances in Electrochemical Science and Engineering, vol. 10, pp. 213–321, 1977.
- S. Trasatti, in Handbook of Fuel Cells—Fundamentals, Technology and Applications, W. Vielstich, A. Lamm, and H. A. Gasteiger, Eds., vol. 2, p. 88, John Wiley & Sons, Chichester, NY, USA, 2003.
- O. R. Inderwildi, S. J. Jenkins, and D. A. King, “When adding an unreactive metal enhances catalytic activity: NOx decomposition over silver-rhodium bimetallic surfaces,” Surface Science, vol. 601, no. 17, pp. L103–L108, 2007.
- A. Michaelides, “The unhappy marriage of transition and noble metal atoms: a new way to enhance catalytic activity? (A perspective on: “when adding an unreactive metal enhances catalytic activity: NOx decomposition over silver-rhodium bimetallic surfaces” by O.R. Inderwildi, S.J. Jenkins, D.A. King),” Surface Science, vol. 601, no. 17, pp. 3529–3531, 2007.
- A. U. Nilekar, J. Greeley, and M. Mavrikakis, “A simple rule of thumb for diffusion on transition-metal surfaces,” Angewandte Chemie—International Edition, vol. 45, no. 42, pp. 7046–7049, 2006.
- D. C. Ford, Y. Xu, and M. Mavrikakis, “Atomic and molecular adsorption on Pt(1 1 1),” Surface Science, vol. 587, no. 3, pp. 159–174, 2005.
- E. G. Seebauer and L. D. Schmidt, “Surface diffusion of hydrogen on Pt(111): laser-induced thermal desorption studies,” Chemical Physics Letters, vol. 123, no. 1-2, pp. 129–133, 1986.
- B. E. Conway, H. Angerstein-Kozlowska, and W. B. A. Sharp, “Temperature and pressure effects on surface processes at noble metal electrodes. Part 1—entropy of chemisorption of H at Pt surfaces,” Journal of the Chemical Society, Faraday Transactions 1, vol. 74, pp. 1373–1389, 1978.
- W. Schmickler and S. Trasatti, “Comment on “trends in the exchange current for hydrogen evolution” [J. Electrochem. Soc., 152, J23 (2005)],” Journal of the Electrochemical Society, vol. 153, no. 12, Article ID 053612JES, pp. L31–L32, 2006.
- V. R. Stamenkovic, B. S. Mun, M. Arenz et al., “Trends in electrocatalysis on extended and nanoscale Pt-bimetallic alloy surfaces,” Nature Materials, vol. 6, no. 3, pp. 241–247, 2007.