Mean field approximation of Langmuir-Hinshelwood CO-surface reactions considering lateral interactions

Journal of Physical Chemistry C

Volumn 117, Issue 30, 2013, Pages 15716-15727

  Gómez Marín, Ana M ^a   Hernández Ortíz, Juan P ^a,b  

^a UNIVERSIDAD NACIONAL DE COLOMBIA   (Colombia)

^b University of Wisconsin Madison   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

CONCEPTUAL FRAMEWORKS; ELECTRO-CATALYTIC OXIDATION; ELECTROCATALYTIC ACTIVITY; EXPERIMENTAL OBSERVATION; LANGMUIR HINSHELWOOD MECHANISM; LANGMUIR-HINSHELWOOD; MEAN FIELD APPROXIMATION; POTENTIAL STEP CHRONOAMPEROMETRY;

CHRONOAMPEROMETRY; ELECTROCATALYSIS; SURFACE REACTIONS;

REACTION KINETICS;

EID: 84881223660     PISSN: 19327447     EISSN: 19327455     Source Type: Journal    
DOI: 10.1021/jp404711p     Document Type: Article

References (71)

1. Zhdanov, V. P.; Kasemo, B. One of the Scenarios of Electrochemical Oxidation of CO on Single-Crystal Pt Surfaces Surf. Sci. 2003, 545, 109-121
2. Villegas, I.; Weaver, M. J. Carbon Monoxide Adlayer Structures on Platinum (111) Electrodes: A Synergy between In-Situ Scanning Tunneling Microscopy and Infrared Spectroscopy J. Chem. Phys. 1994, 101, 1648-1660
3. Orts, J. M.; Louis, E.; Sander, L. M.; Feliu, J. M.; Aldaz, A.; Clavilier, J. Monte Carlo Simulation of CO Adlayers Electrooxidation on Pt(111) Surf. Sci. 1998, 416, 371-383
4. Love, B.; Lipkowski, J. Effect of Surface Crystallography on Electrocatalytic Oxidation of Carbon Monoxide on Pt Electrodes. In Molecular Phenomena at Electrode Surfaces; Soriaga, M., Ed.; ACS Symposium Series No 378; American Chemical Society: Washington, DC, 1988; Chapter 33, pp 484-496.
5. Maillard, F.; Eikerling, M.; Cherstiouk, O. V.; Schreier, S.; Savinova, E.; Stimming, U. Size Effects on Reactivity of Pt Nano-Particles in CO Monolayer Oxidation: The Role of Surface Mobility Faraday Discuss. 2004, 125, 357-377
6. Lebedeva, N. P.; Koper, M. T. M.; Feliu, J. M.; Van Santen, R. A. Role of Crystalline Defects in Electrocatalysis: Mechanism and Kinetics of CO Adlayer Oxidation on stepped Platinum Electrodes J. Phys. Chem. B 2002, 106, 12938-12947
7. Lebedeva, N. P.; Koper, M. T. M.; Feliu, J. M.; Van Santen, R. A. Mechanism and Kinetics of the Electrochemical CO Adlayer Oxidation on Pt(111) J. Electroanal. Chem. 2002, 524-525, 242-251
8. Koper, M. T. M.; Jansen, A. P. J.; Van Santen, R. A.; Lukkien, J. J.; Hilbers, P. A. J. Monte Carlo Simulations of a Simple Model for the Electrocatalytic CO Oxidation on Platinum J. Chem. Phys. 1998, 109, 6051-6062
9. Koper, M. T. M.; Lebedeva, N. P.; Hermse, C. G. M. Dynamics of CO at the Solid/liquid Interface Studied by Modeling and Simulation of CO Electrooxidation on Pt and Pt/Ru Electrodes Faraday Discuss 2002, 121, 301-311
10. Marcovic, N. M.; Ross, P. N. Surface Science Studies of Model Fuel Cell Electrocatalysts Surf. Sci. Rep. 2002, 45, 117-230
11. Gilman, S. The Mechanism of Electrochemical Oxidation of Carbon Monoxide and Methanol on Platinum. II. The "Reactant-Pair" Mechanism for Electrochemical Oxidation of Carbon Monoxide and Methanol J. Phys. Chem. 1964, 68, 70-80
12. Pozniak, B.; Mo, Y.; Scherson, D. A. The Electrochemical Oxidation of Carbon Monoxide Adsorbed on Pt(111) in Aqueous Electrolytes as Monitored by In Situ Potential Step-Second Harmonic Generation Faraday Discuss 2002, 121, 313-322
13. Chang, S.-C.; Weaver, M. Coverage-Dependent Dipole Coupling for Carbon Monoxide Adsorbed at Ordered Platinum(111)-Aqueous Interfaces: Structural and Electrochemical Implications J. Chem. Phys. 1990, 92, 4582-4594
14. Zurawski, D.; Wasberg, M.; Wieckowksi, A. LEED and Voltammetry of Carbon Monoxide Electrosorbed on Platinum(111) J. Phys. Chem. 1990, 94, 2076-2082
15. Palaikis, L.; Zurawski, D.; Hourani, M.; Wieckowski, A. Surface Electrochemistry of Carbon Monoxide Adsorbed from Electrolytic Solutions at Single Crystal Surfaces of Pt(111) and Pt(l00) Surf. Sci. 1988, 199, 183-198
16. Feliu, J. M.; Orts, J. M.; Femandez-Vega, A.; Aldaz, A.; Clavilier, J. Electrochemical Studies in Sulphuric Acid Solutions of Adsorbed CO on Pt (111) electrodes J. Electroanal. Chem. Interfacial Electrochem. 1990, 296, 191-201
17. Cherstiouk, O. V.; Simonov, P. A.; Zaikovskii, V. I.; Savinova, E. R. CO Monolayer Oxidation at Pt Nanoparticles Supported on Glassy Carbon Electrodes J. Electroanal. Chem. 2003, 554-555, 241-251
18. Orts, J. M.; Louis, E.; Sander, L. M.; Clavilier, J. Numerical Simulation of the Voltammetric Electrooxidation of CO Adsorbed on Pt(111) Electrochim. Acta 1998, 44, 1221-1227
19. Korzeniewski, C.; Severson, M. W. Applications of Infrared Spectroscopy in the Study of catalytic Reactions and related Adsorption Phenomena on Single Crystal Electrodes: Connections between Electrochemical and Ultra High Vacuum Surface Science Spectrochim. Acta 1995, 51A, 499-518
20. Korzeniewski, C. Infrared Spectroscopy in Electrochemistry: New Methods and Connections to UHV Surface Science Crit. Rev. Anal. Chem. 1997, 27, 81-102
21. Korzeniewski, C. Vibrational Coupling Effects on Infrared Spectra of Adsorbates on Electrodes. In Interfacial electrochemistry; Wieckowski, A., Ed.; Dekker: New York, 1999; Chapter 20, pp 345-352.
22. Iwasita, T.; Nart, F. C. In Situ Infrared Spectroscopy at Electrochemical Interfaces Prog. Surf. Sci. 1997, 55, 271-340
23. Petukhov, A. V.; Akemann, W.; Friedrich, K. A.; Stimming, U. Kinetics of Electrooxidation of a CO Monolayer at the Platinum/Electrolyte Interface Surf. Sci. 1998, 402-404, 182-186
24. 4 Electrolyte with Mathematical Modeling of the Current Transients J. Electroanal. Chem. 1999, 467, 74-84
25. Angelucci, C. A.; Herrero, E.; Feliu, J. M. Modelling CO Oxidation on Pt(111) Electrodes J. Phys. Chem. C 2010, 114, 14154-14163
26. Waszczuk, P.; Lu, G.; Wieckowski, A.; Lu, C.; Rice, C.; Masel, R. I. UHV and Electrochemical Studies of CO and Methanol Adsorbed at Platinum/Ruthenium Surfaces, and Reference to Fuel Cell Catalysis Electrochim. Acta 2002, 47, 3637-3652
27. Park, S.; Wasilewski, S. A.; Weaver, M. J. Some Interpretations of Surface Vibrational Spectroscopy Pertinent to Fuel-Cell Electrocatalysis Electrochim. Acta 2002, 47, 3611-3620
28. 2O Overlayers Adsorbed on Pt(111) J. Chem. Phys. 2005, 122, 194705-194710
29. Gómez-Marín, A. M.; Berná, A.; Feliu, J. M. Spectroelectrochemical Studies of the Pt(111)/Nafion Interface Cast Electrode J. Phys. Chem. C 2010, 114, 20130-20140
30. Armand, D.; Rosinberg, M. L. A Simple Model for the Competitive Adsorption of Anions and Hydrogen on the (100) Orientation of a Platinum Surface in Acid Medium: The 3-State Lattice-Gas Model J. Electroanal. Chem. 1991, 302, 191-206
31. Hermse, C. G. M.; Van Bavel, A. P.; Koper, M. T. M.; Lukkien, J. J.; Van Santen, R. A.; Jansen, A. P. J. Modelling the Butterfly: (3 × 7) Ordering on fcc(111) Surfaces Surf. Sci. 2004, 572, 247-260
32. Garcia-Araez, N.; Lukkien, J. J.; Koper, M. T. M.; Feliu, J. M. Competitive Adsorption of Hydrogen and Bromide on Pt(100): Mean-Field Approximation vs. Monte Carlo Simulations J. Electroanal. Chem. 2006, 588, 1-14
33. Frumkin, A. N. Über die Beeinflussung der Adsorption von Neutralmolekulen durch ein elektrisches Z. Phys. 1926, 35, 792-802
34. Conway, B. E.; Gileadi, E. Kinetic Theory of Pseudo-Capacitance and Electrode Reactions at Appreciable Surface Coverage Trans. Faraday Soc. 1962, 58, 2493-2509
35. Gileadi, E.; Conway, B. E. Kinetic Theory of Adsorption of Intermediates in Electrochemical Catalysis J. Chem. Phys. 1963, 39, 3420-3430
36. Conway, B. E.; Angerstein-Kozlowska, H. Interaction Effects in Electrodeposited Monolayers and the Role of the "Electrosorption Valency" Factor J. Electroanal. Chem. Interfacial Electrochem. 1980, 113, 63-77
37. Zhdanov, V. P.; Kasemo, B. Lattice-Gas Model of NO Decomposition on Transition Metals J. Chem. Phys. 1996, 104, 2446-2452
38. Koper, M. T. M. A Lattice-Gas Model for Halide Adsorption on Single-Crystal Electrodes J. Electroanal. Chem. 1998, 450, 189-201
39. Mitchell, S. J.; Rikvold, P. A. Static and Dynamic Monte Carlo Simulations of Br Electrodeposition on Ag(100) Surf. Sci. 2001, 471, 125-142
40. Koper, M.T. M. Stripping Voltammetry and Chronoamperometry of an Adsorbed Species with Repulsive Lateral Interactions Z. Phys. Chem. 2003, 217, 547-556
41. Petukhov, A. V. Effect of Molecular Mobility on Kinetics of an Electrochemical Langmuir-Hinshelwood Reaction Chem. Phys. Lett. 1997, 277, 539-544
42. Koper, M. T. M.; Jansen, A. P. J.; Lukkien, J. J. Lattice-Gas Modeling of Electrochemical Langmuir-Hinshelwood Surface Reactions Electrochim. Acta 1999, 45, 645-651
43. Koper, M. T. M.; Lukkien, J. J.; Jansen, A. P. J.; Van Santen, R. A. Lattice Gas Model for CO Electrooxidation on Pt-Ru Bimetallic Surfaces J. Phys. Chem. B 1999, 103, 5522-5529
44. Saravanan, C.; Markovic, N. M.; Head-Gordon, M.; Ross, P. N. Stripping and Bulk CO Electrooxidation at the Pt-Electrode Interface: Dynamic Monte Carlo Simulations J. Chem. Phys. 2001, 114, 6404-6412
45. Korzeniewski, C.; Kardash, D. Use of a Dynamic Monte Carlo Simulation in the Study of Nucleation-and-Growth Models for CO Electrochemical Oxidation J. Phys. Chem. B 2001, 105, 8663-8671
46. Saravanan, C.; Koper, M. T. M.; Markovic, N. M.; Head-Gordon, M.; Ross, P. N. Modeling Base Voltammetry and CO Electrooxidation at the Pt(111)-Electrolyte Interface: Monte Carlo Simulations Including Anion Adsorption Phys. Chem. Chem. Phys. 2002, 4, 2660-2666
47. Hill, T. L. An Introduction to Statistical Thermodynamics; Dover: New York, 1960.
48. Gómez-Marín, A. M.; Hernández-Ortíz, J. P. Manuscript in preparation.
49. Bard, A. J.; Faulkner, L. R. Electrochemical Methods: Fundamentals and Applications; 2 nd ed.; John Wiley and Sons: New York, 2001.
50. Wang, H.; Jusys, Z.; Behm, R. J.; Abruña, H. D. New Insights into the Mechanism and Kinetics of Adsorbed CO Electrooxidation on Platinum: Online Mass Spectrometry and Kinetic Monte Carlo Simulation Studies J. Phys. Chem. C 2012, 116, 11040-11053
51. Urchaga, P.; Baranton, S.; Coutanceau, C.; Jerkiewicz, G. Evidence of an Eley-Rideal Mechanism in the Stripping of a Saturation Layer of Chemisorbed CO on Platinum Nanoparticles Langmuir 2012, 28, 13094-13104
52. 2O on Nanostructured Platinum Surfaces: Does OH Form at Steps? Angew. Chem., Int. Ed. 2010, 49, 6572-6575
53. Björling, A.; Herrero, E.; Feliu, J. M. Electrochemical Oxidation of Pt(111) Vicinal Surfaces: Effects of Surface Structure and Specific Anion Adsorption J. Phys. Chem. C 2011, 115, 15509-15515
54. Conway, B. E. Electrochemical Oxide Film Formation at Noble Metals as Surface-Chemical Process Prog. Surf. Sci. 1995, 49, 331-452
55. Gómez-Marín, A. M.; Clavilier, J.; Feliu, J. M. Sequential Pt(111) Oxide Formation in Perchloric Acid: An Electrochemical Study of Surface Species Inter-conversion J. Electroanal. Chem. 2013, 688, 360-370
56. Rosca, V.; Koper, M. T. M. Rate Laws for Reductive Stripping of NO Adlayers at Single-Crystal Platinum Electrodes as Deduced from Transient Experiments Surf. Sci. 2005, 584, 258-268
57. Weaver, M. J.; Chang, S.-C.; Leung, L.-W.; Jiang, X.; Rubel, M.; Szklarczyk, M.; Zurawski, D.; Wieckowski, A. Evaluation of Absolute Saturation Coverages of CO on Low-Index Platinum and Rhodium Electrodes J. Electroanal. Chem. 1992, 327, 247-260
58. Seebauer, E. G.; Allen, C. E. Estimating Surface Diffusion Coefficients Prog. Surf. Sci. 1995, 49, 265-230
59. Barth, J. V. Transport of Adsorbates at Metal Surfaces: from Thermal Migration to Hot Precursors Surf. Sci. Rep. 2000, 40, 75-149
60. Kucernak, A. R.; Offer, G. J. The Role of Adsorbed Hydroxyl Species in the Electrocatalytic Carbon Monoxide Oxidation Reaction on Platinum Phys. Chem. Chem. Phys. 2008, 10, 3699-3711
61. Santos, E.; Leiva, E. P. M.; Vielstich, W. CO Adsorbate on Pt(111) Single Crystal Surfaces Electrochim. Acta 1991, 36, 555-561
62. Herrero, E.; Feliu, J. M.; Blais, S.; Radovic-Hrapovic, Z.; Jerkiewicz, G. Temperature Dependence of CO Chemisorption and its Oxidative Desorption on the Pt(111) Electrode Langmuir 2000, 16, 4779-4783
63. Spendelow, J. S.; Lu, G. Q.; Kenis, P. J. A.; Wieckowski, A. Electrooxidation of Adsorbed CO on Pt(111) and Pt(111)/Ru in Alkaline Media and Comparison with Results from Acidic Media J. Electroanal. Chem. 2004, 568, 215-224
64. Akemann, W.; Friedrich, K. A.; Stimming, U. Potential-dependence of CO Adlayer Structures on Pt(111) Electrodes in Acid Solution: Evidence for a Site Selective Charge Transfer J. Chem. Phys. 2000, 113, 6864-6874
65. García, G.; Koper, M. T. M. Dual Reactivity of Step-Bound Carbon Monoxide during Oxidation on a Stepped Platinum Electrode in Alkaline Media J. Am. Chem. Soc. 2009, 131, 5384-5385
66. García, G.; Koper, M. T. M. Mechanism of Electrooxidation of Carbon Monoxide on Stepped Platinum Electrodes in Alkaline Media: a Chronoamperometric and Kinetic Modelling Study Phys. Chem. Chem. Phys. 2009, 11, 11437-11446
67. Spendelow, J. S.; Goodpaster, J. D.; Kenis, P. J. A.; Wieckowski, A. Mechanism of CO Oxidation on Pt(111) in Alkaline Media J. Phys. Chem. B 2006, 110, 9545-9555
68. Wagner, F. T.; Moylan, T. E.; Schmieg, S. J. Hydrophilic versus Hydrophobic CO-adsorption: Carbon Monoxide and Water on Rh(111) vesus Pt(111) Surf. Sci. 1988, 195, 403-428
69. Housmans, T. H. M.; Feliu, J. M.; Koper, M. T. M. CO Oxidation on Stepped Rh[n(111)x(111)] Single Crystal Electrodes: a Voltammetric Study J. Electroanal. Chem. 2004, 572, 79-91
70. Housmans, T. H. M.; Koper, M. T. M. CO Oxidation on Stepped Rh[n(111)x(111)] Single Crystal Electrodes: Anion Effects on CO Surface Mobility Electrochem. Commun. 2005, 7, 581-588
71. Housmans, T. H. M.; Koper, M. T. M. CO Oxidation on Stepped Rh[n(111)x(111)] Single Crystal Electrodes: a Chronoamperometric Study J. Electroanal. Chem. 2005, 575, 39-51