Unifying kinetic and thermodynamic analysis of 2 e- and 4 e - reduction of oxygen on metal surfaces

Journal of Physical Chemistry C

Volumn 118, Issue 13, 2014, Pages 6706-6718

  Hansen, Heine A ^b   Viswanathan, Venkatasubramanian ^a   NØrskov, Jens K ^a  

^a SLAC NATIONAL ACCELERATOR LABORATORY   (United States)

^b Stanford University   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

DYNAMICS SIMULATION; MICROKINETIC MODELING; OXYGEN REDUCTION REACTION; REDUCTION OF OXYGEN; SABATIER ANALYSIS; THERMO DYNAMIC ANALYSIS; THERMODYNAMIC ACTIVITY; THERMODYNAMIC FORMULATION;

BINDING ENERGY; COMPUTER SIMULATION; ELECTROCATALYSIS; ELECTROLYTIC REDUCTION; KINETICS; OXYGEN; PLATINUM; SURFACES; THERMOANALYSIS; THERMODYNAMIC PROPERTIES; VOLCANOES;

METAL ANALYSIS;

EID: 84898060313     PISSN: 19327447     EISSN: 19327455     Source Type: Journal    
DOI: 10.1021/jp4100608     Document Type: Article

References (81)

1. Marković, N. M.; Schmidt, T. J.; Stamenkovic, V.; Ross, P. N. Oxygen Reduction Reaction on Pt and Pt Bimetallic Surfaces: A Selective Review Fuel Cells 2001, 1, 105-116
2. Marković, N. M.; Ross, P. N. Surface Science Studies of Model Fuel Cell Electrocatalysts Surf. Sci. Rep. 2002, 45, 117-229
3. Mukerjee, S.; Srinivasan, S.; Soriaga, M. P.; McBreen, J. Role of Structural and Electronic Properties of Pt and Pt Alloys on Electrocatalysis of Oxygen Reduction An in situ XANES and EXAFS Investigation J. Electrochem. Soc. 1995, 142, 1409-1422
4. Marković, N. M.; Gasteiger, H. A.; Ross, P. N. Oxygen Reduction on Platinum Low-Index Single-Crystal Surfaces in Sulfuric Acid Solution: Rotating Ring-Pt(hkl) Disk Studies J. Phys. Chem. 1995, 99, 3411-3415
5. Stamenkovic, V.; M. Marković, N.; Ross, P. Structure-Relationships in Electrocatalysis: Oxygen Reduction and Hydrogen Oxidation Reactions on Pt(111) and Pt(100) in Solutions Containing Chloride Ions J. Electroanal. Chem. 2001, 500, 44-51
6. Zhang, J.; Vukmirovic, M. B.; Xu, Y.; Mavrikakis, M.; Adzic, R. R. Controlling the Catalytic Activity of Platinum-Monolayer Electrocatalysts for Oxygen Reduction with Different Substrates Angew. Chem., Int. Ed. 2005, 44, 2132-2135
7. Climent, V.; Gomez, R.; Orts, J. M.; Feliu, J. M. Thermodynamic Analysis of the Temperature Dependence of OH Adsorption on Pt(111) and Pt(100) Electrodes in Acidic Media in the Absence of Specific Anion Adsorption J. Phys. Chem. B 2006, 110, 11344-11351
8. 3Fe(111) Single-Crystal Alloy J. Am. Chem. Soc. 2009, 131, 12755-12762
9. Kuzume, A.; Herrero, E.; Feliu, J. M. Oxygen Reduction on Stepped Platinum Surfaces in Acidic Media J. Electroanal. Chem. 2007, 599, 333-343
10. Macia, M.; Campina, J.; Herrero, E.; Feliu, J. M. On the Kinetics of Oxygen Reduction on Platinum Stepped Surfaces in Acidic Media J. Electroanal. Chem. 2004, 564, 141-150
11. Wakisaka, M.; Suzuki, H.; Mitsui, S.; Uchida, H.; Watanabe, M. Identification and Quantification of Oxygen Species Adsorbed on Pt(111) Single-Crystal and Polycrystalline Pt Electrodes by Photoelectron Spectroscopy Langmuir 2009, 25, 1897-1900
12. Wakisaka, M.; Udagawa, Y.; Suzuki, H.; Uchida, H.; Watanabe, M. Structural Effects on the Surface Oxidation Processes at Pt Single-Crystal Electrodes Studied by X-Ray Photoelectron Spectroscopy Energ. Environ. Sci. 2011, 4, 1662-1666
13. Kondo, S.; Nakamura, M.; Maki, N.; Hoshi, N. Active Sites for the Oxygen Reduction Reaction on the Low and High Index Planes of Palladium J. Phys. Chem. C 2009, 113, 12625-12628
14. Stephens, I. E. L.; Bondarenko, A. S.; Perez-Alonso, F. J.; Calle-Vallejo, F.; Bech, L.; Johansson, T. P.; Jepsen, A. K.; Frydendal, R.; Knudsen, B. P.; Rossmeisl, J.; Chorkendorff, I. Tuning the Activity of Pt(111) for Oxygen Electroreduction by Subsurface Alloying J. Am. Chem. Soc. 2011, 133, 5485-5491
15. 2 J. Electrochem. Soc. 1967, 114, 1107-1112
16. Fernández, J. L.; Bard, A. J. Scanning Electrochemical Microscopy. 47. Imaging Electrocatalytic Activity for Oxygen Reduction in an Acidic Medium by the Tip Generation-Substrate Collection Mode Anal. Chem. 2003, 75, 2967-2974
17. Hoster, H.; Richter, B.; Behm, R. J. Catalytic Influence of Pt Monolayer Islands on the Hydrogen Electrochemistry of Ru(0001) Studied by Ultrahigh Vacuum Scanning Tunneling Microscopy and Cyclic Voltammetry J. Phys. Chem. B 2004, 108, 14780-14788
18. Maillard, F.; Lu, G.-Q.; Wieckowski, A.; Stimming, U. Ru-Decorated Pt Surfaces as Model Fuel Cell Electrocatalysts for CO Electrooxidation J. Phys. Chem. B 2005, 109, 16230-16243
19. Fernández, J. L.; Walsh, D. A.; Bard, A. J. Thermodynamic Guidelines for the Design of Bimetallic Catalysts for Oxygen Electroreduction and Rapid Screening by Scanning Electrochemical Microscopy. M-Co (M: Pd, Ag, Au) J. Am. Chem. Soc. 2005, 127, 357-365
20. Rosca, V.; Koper, M. T. M. Electrocatalytic Oxidation of Ammonia on Pt(111) and Pt(100) Surfaces Phys. Chem. Chem. Phys. 2006, 8, 2513-2524
21. 3Ni(111) via Increased Surface Site Availability Science 2007, 315, 493-497
22. 2O and OH Adsorption Bond Strengths Electrochim. Acta 2002, 47, 3759-3763
23. -(U) Pt-H: Activation Energy-Based Symmetry Factors in the Marcus Normal and Inverted Regions J. Phys. Chem. B 2003, 107, 4618-4623
24. 3Ni(111) J. Phys. Chem. C 2012, 116, 4698-4704
25. Gohda, Y.; Schnur, S.; Groß, A. Influence of Water on Elementary Reaction Steps in Electrocatalysis Faraday Discuss. 2009, 140, 233-244
26. Janik, M. J.; Taylor, C. D.; Neurock, M. First-Principles Analysis of the Initial Electroreduction Steps of Oxygen over Pt(111) J. Electrochem. Soc. 2009, 156, B126-B135
27. Anderson, A. B.; Uddin, J.; Jinnouchi, R. Solvation and Zero-Point-Energy Effects on OH(ads) Reduction on Pt(111) Electrodes J. Phys. Chem. C 2010, 114, 14946-14952
28. Jinnouchi, R.; Hatanaka, T.; Morimoto, Y.; Osawa, M. First Principles Study of Sulfuric Acid Anion Adsorption on a Pt(111) Electrode Phys. Chem. Chem. Phys. 2012, 14, 3208-3218
29. Keith, J. A.; Jacob, T. Theoretical Studies of Potential-Dependent and Competing Mechanisms of the Electrocatalytic Oxygen Reduction Reaction on Pt(111) Angew. Chem., Int. Ed. 2010, 49, 9521-9525
30. Nilekar, A. U.; Mavrikakis, M. Improved Oxygen Reduction Reactivity of Platinum Monolayers on Transition Metal Surfaces Surf. Sci. 2008, 602, L89-L94
31. 3Ni Alloy Fuel Cell Cathode J. Phys. Chem. C 2012, 116, 21334-21342
32. Lee, S. W.; Chen, S.; Suntivich, J.; Sasaki, K.; Adzic, R. R.; Shao-Horn, Y. Role of Surface Steps of Pt Nanoparticles on the Electrochemical Activity for Oxygen Reduction J. Phys. Chem. Lett. 2010, 1, 1316-1320
33. Shao, M.; Peles, A.; Shoemaker, K. Electrocatalysis on Platinum Nanoparticles: Particle Size Effect on Oxygen Reduction Reaction Activity Nano Lett. 2011, 11, 3714-3719
34. Leontyev, I. N.; Belenov, S. V.; Guterman, V. E.; Haghi-Ashtiani, P.; Shaganov, A. P.; Dkhil, B. Catalytic Activity of Carbon-Supported Pt Nanoelectrocatalysts. Why Reducing the Size of Pt Nanoparticles is Not Always Beneficial J. Phys. Chem. C 2011, 115, 5429-5434
35. Viswanathan, V.; Wang, F. Y. F. Theoretical Analysis of the Effect of Particle Size and Support on the Kinetics of Oxygen Reduction Reaction on Platinum Nanoparticles Nanoscale 2012, 4, 5110-5117
36. Perez-Alonso, F. J.; McCarthy, D. N.; Nierhoff, A.; Hernandez-Fernandez, P.; Strebel, C.; Stephens, I. E. L.; Nielsen, J. H.; Chorkendorff, I. The Effect of Size on the Oxygen Electroreduction Activity of Mass-Selected Platinum Nanoparticles Angew. Chem., Int. Ed. 2012, 51, 4641-4643
37. Wang, J. X.; Marković, N. M.; Adzic, R. R. Kinetic Analysis of Oxygen Reduction on Pt(111) in Acid Solutions: Intrinsic Kinetic Parameters and Anion Adsorption Effects J. Phys. Chem. B 2004, 108, 4127-4133
38. Wang, J. X.; Zhang, J.; Adzic, R. R. Double-Trap Kinetic Equation for the Oxygen Reduction Reaction on Pt(111) in Acidic Media J. Phys. Chem. A 2007, 111, 12702-12710
39. Marković, N. M.; Gasteiger, H. A.; Grgur, B. N.; Ross, P. N. Oxygen Reduction Reaction on Pt(111): Effects of Bromide J. Electroanal. Chem. 1999, 467, 157-163
40. NØrskov, J. K.; Rossmeisl, J.; Logadottir, A.; Lindqvist, L.; Kitchin, J. R.; Bligaard, T.; Jonsson, H. Origin of the Overpotential for Oxygen Reduction at a Fuel-Cell Cathode J. Phys. Chem. B 2004, 108, 17886-17892
41. Karlberg, G. S.; Rossmeisl, J.; NØrskov, J. K. Estimations of Electric Field Effects on the Oxygen Reduction Reaction Based on the Density Functional Theory Phys. Chem. Chem. Phys. 2007, 9, 5158-5161
42. Greeley, J.; Stephens, I. E. L.; Bondarenko, A. S.; Johansson, T. P.; Hansen, H. A.; Jaramillo, T. F.; Rossmeisl, J.; Chorkendorff, I.; NØrskov, J. K. Alloys of Platinum and Early Transition Metals as Oxygen Reduction Electrocatalysts Nat. Chem. 2009, 1, 552-556
43. Abild-Pedersen, F.; Greeley, J.; Studt, F.; Rossmeisl, J.; Munter, T. R.; Moses, P. G.; Skulason, E.; Bligaard, T.; NØrskov, J. K. Scaling Properties of Adsorption Energies for Hydrogen-Containing Molecules on Transition-Metal Surfaces Phys. Rev. Lett. 2007, 99, 016105
44. Viswanathan, V.; Hansen, H. A.; Rossmeisl, J.; NØrskov, J. K. Universality in Oxygen Reduction Electrocatalysis on Metal Surfaces ACS Catal. 2012, 2, 1654-1660
45. - Reduction of Oxygen on Metal Surfaces J. Phys. Chem. Lett. 2012, 3, 2948-2951
46. NØrskov, J. K.; Bligaard, T.; Logadottir, A.; Kitchin, J. R.; Chen, J. G.; Pandelov, S.; Stimming, U. Trends in the Exchange Current for Hydrogen Evolution J. Electrochem. Soc. 2005, 152, 23-26
47. Man, I.; Su, H.; Calle-Vallejo, F.; Hansen, H.; Martnez, J.; Inoglu, N.; Kitchin, J.; Jaramillo, T.; NØrskov, J.; Rossmeisl, J. Universality in Oxygen Evolution Electrocatalysis on Oxide Surfaces ChemCatChem 2011, 3, 1159-1165
48. 2 Reduction to CO J. Phys. Chem. Lett. 2013, 4, 388-392
49. Greeley, J.; Jaramillo, T. F.; Bonde, J.; Chorkendorff, I. B.; NØrskov, J. K. Computational High-Throughput Screening of Electrocatalytic Materials for Hydrogen Evolution Nat. Mater. 2006, 5, 909-913
50. Rossmeisl, J.; Karlberg, G. S.; Jaramillo, T.; NØrskov, J. K. Steady State Oxygen Reduction and Cyclic Voltammetry Faraday Discuss. 2009, 140, 337-346
51. Rossmeisl, J.; NØrskov, J. K.; Taylor, C. D.; Janik, M. J.; Neurock, M. Calculated Phase Diagrams for the Electrochemical Oxidation and Reduction of Water over Pt(111) J. Phys. Chem. B 2006, 110, 21833-21839
52. Tripkovic, V.; Skúlason, E.; Siahrostami, S.; NØrskov, J. K.; Rossmeisl, J. The Oxygen Reduction Reaction Mechanism on Pt(111) from Density Functional Theory Calculations Electrochim. Acta 2010, 55, 7975-7981
53. 2O Overlayers Adsorbed on Pt(111) J. Chem. Phys. 2005, 122, 194705
54. 2 on Pt-Co and Pt-Fe Alloys J. Am. Chem. Soc. 2004, 126, 4717-4725
55. Stephens, I. E. L.; Bondarenko, A. S.; GrØnbjerg, U.; Rossmeisl, J.; Chorkendorff, I. Understanding the Electrocatalysis of Oxygen Reduction on Platinum and its Alloys Energ. Environ. Sci. 2012, 5, 6744-6762
56. 12 Nanoclusters Top. Catal. 2012, 55, 336-344
57. 2 by Hydrogen on Transition Metal Surfaces Surf. Sci. 2010, 604, 1565-1575
58. Rankin, R. B.; Greeley, J. Trends in Selective Hydrogen Peroxide Production on Transition Metal Surfaces from First Principles ACS Catal. 2012, 2, 2664-2672
59. Rossmeisl, J.; Logadottir, A.; NØrskov, J. K. Electrolysis of Water on (Oxidized) Metal Surfaces Chem. Phys. 2005, 319, 178-184
60. Jinnouchi, R.; Kodama, K.; Hatanaka, T.; Morimoto, Y. First Principles Based Mean Field Model for Oxygen Reduction Reaction Phys. Chem. Chem. Phys. 2011, 13, 21070-21083
61. Limmer, D. T.; Willard, A. P.; Madden, P.; Chandler, D. Hydration of Metal Surfaces can be Dynamically Heterogeneous and Hydrophobic Proc. Natl. Acad. Sci. U.S.A. 2013, 110, 4200-4205
62. Haynes, W. M.; Bruno, T. J.; Lide, D. R. CRC Handbook of Chemistry and Physics, 93 rd ed.; CRC Press/Taylor and Francis: Boca Raton, FL, 2013.
63. Bondarenko, A. S.; Stephens, I. E. L.; Hansen, H. A.; Pérez-Alonso, F. J.; Tripkovic, V.; Johansson, T. P.; Rossmeisl, J.; NØrskov, J. K.; Chorkendorff, I. The Pt(111)/Electrolyte Interface under Oxygen Reduction Reaction Conditions: An Electrochemical Impedance Spectroscopy Study Langmuir 2011, 27, 2058-2066
64. Strmcnik, D.; Escudero-Escribano, M.; Kodama, K.; Stamenkovic, V. R.; Cuesta, A.; Marković, N. M. Enhanced Electrocatalysis of the Oxygen Reduction Reaction Based on Patterning of Platinum Surfaces with Cyanide Nat. Chem. 2010, 2, 880-885
65. Gómez-Marn, A. M.; Feliu, J. M. New Insights into the Oxygen Reduction Reaction Mechanism on Pt (111): A Detailed Electrochemical Study ChemSusChem 2013, 6, 1091-1100
66. Marković, N. M.; Adžić, R. R.; Cahan, B. D.; Yeager, E. B. Structural Effects in Electrocatalysis: Oxygen Reduction on Platinum Low Index Single-Crystal Surfaces in Perchloric Acid Solutions J. Electroanal. Chem. 1994, 377, 249-259
67. Neyerlin, K. C.; Gu, W.; Jorne, J.; Gasteiger, H. A. Determination of Catalyst Unique Parameters for the Oxygen Reduction Reaction in a PEMFC J. Electrochem. Soc. 2006, 153, A1955-A1963
68. Marković, N. M.; Gasteiger, H. A.; Ross, P. N. Kinetics of Oxygen Reduction on Pt(hkl) Electrodes: Implications for the Crystallite Size Effect with Supported Pt Electrocatalysts J. Electrochem. Soc. 1997, 144, 1591-1597
69. Shao, M. H.; Huang, T.; Liu, P.; Zhang, J.; Sasaki, K.; Vukmirovic, M. B.; Adzic, R. R. Palladium Monolayer and Palladium Alloy Electrocatalysts for Oxygen Reduction Langmuir 2006, 22, 10409-10415
70. Blizanac, B. B.; Ross, P. N.; Marković, N. M. Oxygen Reduction on Silver Low-Index Single-Crystal Surfaces in Alkaline Solution: Rotating Ring Disk(Ag(hkl)) Studies J. Phys. Chem. B 2006, 110, 4735-4741
71. Schmidt, T. J.; Stamenkovic, V.; Arenz, M.; Marković, N. M.; Ross, P. N. Oxygen Electrocatalysis in Alkaline Electrolyte: Pt(hkl), Au(hkl) and the Effect of Pd-Modification Electrochim. Acta 2002, 47, 3765-3776
72. - Chemisorption on the Catalytic Properties of Gold Single Crystal Surfaces for Oxygen Reduction in Alkaline Solutions J. Electroanal. Chem. 1996, 403, 169-181
73. Blizanac, B. B.; Lucas, C. A.; Gallagher, M. E.; Arenz, M.; Ross, P. N.; Marković, N. M. Anion Adsorption, CO Oxidation, and Oxygen Reduction Reaction on a Au(100) Surface: The pH Effect J. Phys. Chem. B 2004, 108, 625-634
74. Campbell, C. Finding the Rate-Determining Step in a Mechanism Comparing DeDonder Relations with the "Degree of Rate Control" J. Catal. 2001, 204, 520-524
75. Stegelmann, C.; Andreasen, A.; Campbell, C. T. Degree of Rate Control: How Much the Energies of Intermediates and Transition States Control Rates J. Am. Chem. Soc. 2009, 131, 8077-8082
76. Herron, J. A.; Jiao, J.; Hahn, K.; Peng, G.; Adzic, R. R.; Mavrikakis, M. Oxygen Reduction Reaction on Platinum-Terminated "Onion-structured" Alloy Catalysts Electrocatalysis 2012, 3, 192-202
77. 2 Electroreduction on Transition Metal Electrodes: Theoretical Analysis J. Phys. Chem. C 2013, 117, 41-48
78. Bligaard, T.; NØrskov, J. K.; Dahl, S.; Matthiesen, J.; Christensen, C. H.; Sehested, J. The BrØnsted-Evans-Polanyi Relation and the Volcano Curve in Heterogeneous Catalysis J. Catal. 2004, 224, 206-217
79. Boudart, M. Some Applications of the Generalized De Donder Equation to Industrial Reactions Ind. Eng. Chem. Fundam. 1986, 25, 70-75
80. Dumesic, J. A. Analyses of Reaction Schemes Using De Donder Relations J. Catal. 1999, 185, 496-505
81. Jinnouchi, R.; Kodama, K.; Morimoto, Y. DFT Calculations on H, OH and O Adsorbate Formations on Pt(111) and Pt(332) Electrodes J. Electroanal. Chem. 2013, 10.1016/j.jelechem.2013.09.031