Influence of Surface Adsorption on the Oxygen Evolution Reaction on IrO2(110)

Journal of the American Chemical Society

Volumn 139, Issue 9, 2017, Pages 3473-3479

  Kuo, Ding Yuan ^a   Kawasaki, Jason K ^a,b   Nelson, Jocienne N ^b   Kloppenburg, Jan ^c   Hautier, Geoffroy ^c   Shen, Kyle M ^a,b   Schlom, Darrell G ^a   Suntivich, Jin ^a  

^a Cornell University   (United States)

^b Laboratory of Atomic and Solid State Physics and Sibley School of Mechanical and Aerospace Engineering   (United States)

^c UNIVERSITÉ CATHOLIQUE DE LOUVAIN   (Belgium)

Author keywords

[No Author keywords available]

Indexed keywords

ADSORPTION; ALKALINITY; CATALYSIS; ELECTROCATALYSIS; ELECTROCATALYSTS; ELECTROLYTES; KINETICS; MOLECULAR BEAM EPITAXY; MOLECULAR OXYGEN; OXYGEN; REACTION INTERMEDIATES; SINGLE CRYSTALS;

ADSORPTION ENERGETICS; ADSORPTION ENERGIES; ADSORPTION KINETICS; ALKALINE SOLUTIONS; EPITAXIALLY GROWN; INTERFACIAL WATER; OXYGEN EVOLUTION REACTION; SURFACE ADSORPTION;

GAS ADSORPTION;

IRIDIUM; IRIDIUM OXIDE 110; TITANIUM DIOXIDE; UNCLASSIFIED DRUG; WATER;

ADSORPTION KINETICS; ARTICLE; CATALYSIS; CRYSTAL STRUCTURE; CURRENT DENSITY; DESORPTION; ELECTROCHEMISTRY; ELECTRON TRANSPORT; OXYGEN EVOLUTION; OXYGEN EVOLUTION REACTION; PH; SURFACE PROPERTY; X RAY DIFFRACTION;

EID: 85014700500     PISSN: 00027863     EISSN: 15205126     Source Type: Journal    
DOI: 10.1021/jacs.6b11932     Document Type: Article

References (73)

1. Cook, T. R.; Dogutan, D. K.; Reece, S. Y.; Surendranath, Y.; Teets, T. S.; Nocera, D. G. Chem. Rev. 2010, 110, 6474 10.1021/cr100246c
2. Hong, W. T.; Risch, M.; Stoerzinger, K. A.; Grimaud, A.; Suntivich, J.; Shao-Horn, Y. Energy Environ. Sci. 2015, 8, 1404 10.1039/C4EE03869J
3. Bernt, M.; Gasteiger, H. A. J. Electrochem. Soc. 2016, 163, F3179 10.1149/2.0231611jes
4. Fabbri, E.; Habereder, A.; Waltar, K.; Kötz, R.; Schmidt, T. J. Catal. Sci. Technol. 2014, 4, 3800 10.1039/C4CY00669K
5. Koper, M. T. M. J. Electroanal. Chem. 2011, 660, 254 10.1016/j.jelechem.2010.10.004
6. Man, I. C.; Su, H.-Y.; Calle-Vallejo, F.; Hansen, H. A.; Martínez, J. I.; Inoglu, N. G.; Kitchin, J.; Jaramillo, T. F.; Nørskov, J. K.; Rossmeisl, J. ChemCatChem 2011, 3, 1159 10.1002/cctc.201000397
7. Rossmeisl, J.; Qu, Z.-W.; Zhu, H.; Kroes, G.-J.; Nørskov, J. K. J. Electroanal. Chem. 2007, 607, 83 10.1016/j.jelechem.2006.11.008
8. Sabatier, P. La Catalyse en Chimie Organique; Béranger: Paris, 1920.
9. Feng, Z. A.; Balaji Gopal, C.; Ye, X.; Guan, Z.; Jeong, B.; Crumlin, E.; Chueh, W. C. Chem. Mater. 2016, 28, 6233 10.1021/acs.chemmater.6b02427
10. Trasatti, S. J. Electroanal. Chem. Interfacial Electrochem. 1980, 111, 125 10.1016/S0022-0728(80)80084-2
11. Suntivich, J.; Gasteiger, H. A.; Yabuuchi, N.; Nakanishi, H.; Goodenough, J. B.; Shao-Horn, Y. Nat. Chem. 2011, 3, 546 10.1038/nchem.1069
12. Nørskov, J. K.; Rossmeisl, J.; Logadottir, A.; Lindqvist, L.; Kitchin, J. R.; Bligaard, T.; Jonsson, H. J. Phys. Chem. B 2004, 108, 17886 10.1021/jp047349j
13. Trotochaud, L.; Ranney, J. K.; Williams, K. N.; Boettcher, S. W. J. Am. Chem. Soc. 2012, 134, 17253 10.1021/ja307507a
14. Suntivich, J.; May, K. J.; Gasteiger, H. A.; Goodenough, J. B.; Shao-Horn, Y. Science 2011, 334, 1383 10.1126/science.1212858
15. Cheng, X.; Fabbri, E.; Nachtegaal, M.; Castelli, I. E.; El Kazzi, M.; Haumont, R.; Marzari, N.; Schmidt, T. J. Chem. Mater. 2015, 27, 7662 10.1021/acs.chemmater.5b03138
16. Petrie, J. R.; Cooper, V. R.; Freeland, J. W.; Meyer, T. L.; Zhang, Z.; Lutterman, D. A.; Lee, H. N. J. Am. Chem. Soc. 2016, 138, 2488 10.1021/jacs.5b11713
17. Grimaud, A.; May, K. J.; Carlton, C. E.; Lee, Y.-L.; Risch, M.; Hong, W. T.; Zhou, J.; Shao-Horn, Y. Nat. Commun. 2013, 4, 2439 10.1038/ncomms3439
18. Tang, R.; Nie, Y.; Kawasaki, J. K.; Kuo, D.-Y.; Petretto, G.; Hautier, G.; Rignanese, G.-M.; Shen, K. M.; Schlom, D. G.; Suntivich, J. J. Mater. Chem. A 2016, 4, 6831 10.1039/C5TA09530A
19. Reier, T.; Pawolek, Z.; Cherevko, S.; Bruns, M.; Jones, T.; Teschner, D.; Selve, S.; Bergmann, A.; Nong, H. N.; Schlögl, R.; Mayrhofer, K. J. J.; Strasser, P. J. Am. Chem. Soc. 2015, 137, 13031 10.1021/jacs.5b07788
20. Nong, H. N.; Oh, H.-S.; Reier, T.; Willinger, E.; Willinger, M.-G.; Petkov, V.; Teschner, D.; Strasser, P. Angew. Chem., Int. Ed. 2015, 54, 2975 10.1002/anie.201411072
21. Kim, J.; Yin, X.; Tsao, K.-C.; Fang, S.; Yang, H. J. Am. Chem. Soc. 2014, 136, 14646 10.1021/ja506254g
22. Rossmeisl, J.; Nørskov, J. K.; Taylor, C. D.; Janik, M. J.; Neurock, M. J. Phys. Chem. B 2006, 110, 21833 10.1021/jp0631735
23. Sheng, W.; Zhuang, Z.; Gao, M.; Zheng, J.; Chen, J. G.; Yan, Y. Nat. Commun. 2015, 6, 5848 10.1038/ncomms6848
24. Zheng, J.; Sheng, W.; Zhuang, Z.; Xu, B.; Yan, Y. Sci. Adv. 2016, 2, e1501602 10.1126/sciadv.1501602
25. van der Niet, M. J. T. C.; Dominicus, I.; Koper, M. T. M.; Juurlink, L. B. F. Phys. Chem. Chem. Phys. 2008, 10, 7169 10.1039/b809652j
26. van der Niet, M. J. T. C.; den Dunnen, A.; Juurlink, L. B. F.; Koper, M. T. M. Phys. Chem. Chem. Phys. 2011, 13, 1629 10.1039/C0CP01162B
27. Zhang, Z.; Fenter, P.; Cheng, L.; Sturchio, N. C.; Bedzyk, M. J.; Předota, M.; Bandura, A.; Kubicki, J. D.; Lvov, S. N.; Cummings, P. T.; Chialvo, A. A.; Ridley, M. K.; Bénézeth, P.; Anovitz, L.; Palmer, D. A.; Machesky, M. L.; Wesolowski, D. J. Langmuir 2004, 20, 4954 10.1021/la0353834
28. Nakagawa, N.; Hwang, H. Y.; Muller, D. A. Nat. Mater. 2006, 5, 204 10.1038/nmat1569
29. Watanabe, E.; Rossmeisl, J.; Björketun, M. E.; Ushiyama, H.; Yamashita, K. J. Phys. Chem. C 2016, 120, 8096 10.1021/acs.jpcc.5b12448
30. Gómez-Marín, A. M.; Rizo, R.; Feliu, J. M. Beilstein J. Nanotechnol. 2013, 4, 956 10.3762/bjnano.4.108
31. Gomez, R.; Orts, J. M.; Alvarez-Ruiz, B.; Feliu, J. M. J. Phys. Chem. B 2004, 108, 228 10.1021/jp034982g
32. Bandarenka, A. S.; Hansen, H. A.; Rossmeisl, J.; Stephens, I. E. L. Phys. Chem. Chem. Phys. 2014, 16, 13625 10.1039/c4cp00260a
33. Hoster, H. E.; Alves, O. B.; Koper, M. T. M. ChemPhysChem 2010, 11, 1518 10.1002/cphc.200900500
34. McCrum, I. T.; Janik, M. J. J. Phys. Chem. C 2016, 120, 457 10.1021/acs.jpcc.5b10979
35. Karlberg, G. S.; Jaramillo, T. F.; Skúlason, E.; Rossmeisl, J.; Bligaard, T.; Nørskov, J. K. Phys. Rev. Lett. 2007, 99, 126101 10.1103/PhysRevLett.99.126101
36. Stamenkovic, V. R.; Fowler, B.; Mun, B. S.; Wang, G.; Ross, P. N.; Lucas, C. A.; Markovic, N. M. Science 2007, 315, 493 10.1126/science.1135941
37. 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. Nat. Chem. 2009, 1, 552 10.1038/nchem.367
38. Liang, T.; Koohpayeh, S. M.; Krizan, J. W.; McQueen, T. M.; Cava, R. J.; Ong, N. P. Nat. Commun. 2015, 6, 7611 10.1038/ncomms8611
39. O’Grady, W. E.; Goel, A. K.; Pollak, F. H.; Park, H. L.; Huang, Y. S. J. Electroanal. Chem. Interfacial Electrochem. 1983, 151, 295 10.1016/S0022-0728(83)80444-6
40. Castelli, P.; Trasatti, S.; Pollak, F. H.; O’Grady, W. E. J. Electroanal. Chem. Interfacial Electrochem. 1986, 210, 189 10.1016/0022-0728(86)90325-6
41. Hepel, T.; Pollak, F. H.; O’Grady, W. E. J. Electrochem. Soc. 1984, 131, 2094 10.1149/1.2116026
42. Hepel, T.; Pollak, F. H.; O’Grady, W. E. J. Electrochem. Soc. 1985, 132, 2385 10.1149/1.2113583
43. Stoerzinger, K. A.; Qiao, L.; Biegalski, M. D.; Shao-Horn, Y. J. Phys. Chem. Lett. 2014, 5, 1636 10.1021/jz500610u
44. Stoerzinger, K. A.; Choi, W. S.; Jeen, H.; Lee, H. N.; Shao-Horn, Y. J. Phys. Chem. Lett. 2015, 6, 487 10.1021/jz502692a
45. Tkatchenko, A.; Scheffler, M. Phys. Rev. Lett. 2009, 102, 073005 10.1103/PhysRevLett.102.073005
46. Hammer, B.; Hansen, L. B.; Nørskov, J. K. Phys. Rev. B: Condens. Matter Mater. Phys. 1999, 59, 7413 10.1103/PhysRevB.59.7413
47. Hansen, H. A.; Man, I. C.; Studt, F.; Abild-Pedersen, F.; Bligaard, T.; Rossmeisl, J. Phys. Chem. Chem. Phys. 2010, 12, 283 10.1039/B917459A
48. Kresse, G.; Hafner, J. Phys. Rev. B: Condens. Matter Mater. Phys. 1993, 47, 558 10.1103/PhysRevB.47.558
49. Kresse, G.; Furthmüller, J. Phys. Rev. B: Condens. Matter Mater. Phys. 1996, 54, 11169 10.1103/PhysRevB.54.11169
50. Kresse, G.; Furthmüller, J. Comput. Mater. Sci. 1996, 6, 15 10.1016/0927-0256(96)00008-0
51. Blum, V.; Gehrke, R.; Hanke, F.; Havu, P.; Havu, V.; Ren, X.; Reuter, K.; Scheffler, M. Comput. Phys. Commun. 2009, 180, 2175 10.1016/j.cpc.2009.06.022
52. Kresse, G.; Joubert, D. Phys. Rev. B: Condens. Matter Mater. Phys. 1999, 59, 1758 10.1103/PhysRevB.59.1758
53. Mathew, K.; Sundararaman, R.; Letchworth-Weaver, K.; Arias, T. A.; Hennig, R. G. J. Chem. Phys. 2014, 140, 084106 10.1063/1.4865107
54. Mathew, K.; Hennig, R. G. Implicit self-consistent description of electrolyte in plane-wave density-functional theory. 2016, arXiv:1601.03346. arXiv.org e-Print archive. http://arxiv.org/abs/1601.03346 (accessed Nov 17, 2016).
55. Kawasaki, J. K.; Uchida, M.; Paik, H.; Schlom, D. G.; Shen, K. M. Phys. Rev. B: Condens. Matter Mater. Phys. 2016, 94, 121104 10.1103/PhysRevB.94.121104
56. Blakemore, J. D.; Schley, N. D.; Kushner-Lenhoff, M. N.; Winter, A. M.; D’Souza, F.; Crabtree, R. H.; Brudvig, G. W. Inorg. Chem. 2012, 51, 7749 10.1021/ic300764f
57. Mo, Y.; Stefan, I. C.; Cai, W.-B.; Dong, J.; Carey, P.; Scherson, D. A. J. Phys. Chem. B 2002, 106, 3681 10.1021/jp014452p
58. Hüppauff, M. J. Electrochem. Soc. 1993, 140, 598 10.1149/1.2056127
59. Pauporté, T.; Aberdam, D.; Hazemann, J. L.; Faure, R.; Durand, R. J. Electroanal. Chem. 1999, 465, 88 10.1016/S0022-0728(99)00058-3
60. Viswanathan, V.; Hansen, H. A.; Rossmeisl, J.; Jaramillo, T. F.; Pitsch, H.; Nørskov, J. K. J. Phys. Chem. C 2012, 116, 4698 10.1021/jp210802q
61. Burke, L. D.; Mulcahy, J. K.; Whelan, D. P. J. Electroanal. Chem. Interfacial Electrochem. 1984, 163, 117 10.1016/S0022-0728(84)80045-5
62. Steegstra, P.; Busch, M.; Panas, I.; Ahlberg, E. J. Phys. Chem. C 2013, 117, 20975 10.1021/jp407030r
63. Schwarz, K.; Xu, B.; Yan, Y.; Sundararaman, R. Phys. Chem. Chem. Phys. 2016, 18, 16216 10.1039/C6CP01652A
64. van der Niet, M. J. T. C.; Garcia-Araez, N.; Hernández, J.; Feliu, J. M.; Koper, M. T. M. Catal. Today 2013, 202, 105 10.1016/j.cattod.2012.04.059
65. Gisbert, R.; García, G.; Koper, M. T. M. Electrochim. Acta 2010, 55, 7961 10.1016/j.electacta.2010.04.009
66. Fernández, E. M.; Moses, P. G.; Toftelund, A.; Hansen, H. A.; Martínez, J. I.; Abild-Pedersen, F.; Kleis, J.; Hinnemann, B.; Rossmeisl, J.; Bligaard, T.; Nørskov, J. K. Angew. Chem. 2008, 120, 4761 10.1002/ange.200705739
67. Hansen, M. H.; Rossmeisl, J. J. Phys. Chem. C 2016, 120, 29135 10.1021/acs.jpcc.6b09019
68. Lee, Y.; Suntivich, J.; May, K. J.; Perry, E. E.; Shao-Horn, Y. J. Phys. Chem. Lett. 2012, 3, 399 10.1021/jz2016507
69. Minguzzi, A.; Fan, F.-R. F.; Vertova, A.; Rondinini, S.; Bard, A. J. Chem. Sci. 2012, 3, 217 10.1039/C1SC00516B
70. Goodenough, J. B.; Manoharan, R.; Paranthaman, M. J. Am. Chem. Soc. 1990, 112, 2076 10.1021/ja00162a006
71. Strmcnik, D.; Kodama, K.; van der Vliet, D.; Greeley, J.; Stamenkovic, V. R.; Marković, N. M. Nat. Chem. 2009, 1, 466 10.1038/nchem.330
72. Chu, Y. S.; Lister, T. E.; Cullen, W. G.; You, H.; Nagy, Z. Phys. Rev. Lett. 2001, 86, 3364 10.1103/PhysRevLett.86.3364
73. Doyle, A. D.; Montoya, J. H.; Vojvodic, A. ChemCatChem 2015, 7, 738 10.1002/cctc.201402864