A Fundamental Relationship between Reaction Mechanism and Stability in Metal Oxide Catalysts for Oxygen Evolution

ACS Catalysis

Volumn 6, Issue 2, 2016, Pages 1153-1158

  Rong, Xi ^a   Parolin, Jules ^a   Kolpak, Alexie M ^a  

^a Massachusetts Institute of Technology Cambridge   (United States)

Author keywords

density functional theory; electrocatalysis; oxygen evolution reaction mechanism; perovskite oxides; surface structure

Indexed keywords

CATALYSTS; DENSITY FUNCTIONAL THEORY; DIGITAL STORAGE; ELECTROCATALYSIS; METALS; OXYGEN; PEROVSKITE; SURFACE REACTIONS; SURFACE STRUCTURE; TRANSITION METALS;

AB INITIO COMPUTATIONS; ELECTROCHEMICAL ENERGY STORAGE; METAL OXIDE CATALYSTS; OXYGEN EVOLUTION REACTION; PEROVSKITE OXIDES; REACTION MECHANISM; REVERSIBLE FORMATION; SURFACE OXYGEN VACANCIES;

OXYGEN VACANCIES;

EID: 84957581689     PISSN: 21555435     EISSN: None     Source Type: Journal    
DOI: 10.1021/acscatal.5b02432     Document Type: Article

References (38)

1. Bockris, J. O.; Otagawa, T. J. Electrochem. Soc. 1984, 131, 290-302 10.1149/1.2115565
2. Rincon, R. A.; Ventosa, E.; Tietz, F.; Masa, J.; Seisel, S.; Kuznetsov, V.; Schuhmann, W. ChemPhysChem 2014, 15, 2810-2816 10.1002/cphc.201402137
3. Hong, W. T.; Risch, M.; Stoerzinger, K. A.; Grimaud, A.; Suntivich, J.; Shao-Horn, Y. Energy Environ. Sci. 2015, 8, 1404-1427 10.1039/C4EE03869J
4. Zhou, W.; Zhao, M.; Liang, F.; Smith, S. C.; Zhu, Z. Mater. Horiz. 2015, 2, 495-501 10.1039/C5MH00096C
5. Hardin, W. G.; Mefford, J. T.; Slanac, D. A.; Patel, B. B.; Wang, X. Q.; Dai, S.; Zhao, X.; Ruoff, R. S.; Johnston, K. P.; Stevenson, K. J. Chem. Mater. 2014, 26, 3368-3376 10.1021/cm403785q
6. Suntivich, J.; May, K. J.; Gasteiger, H. A.; Goodenough, J. B.; Shao-Horn, Y. Science 2011, 334, 1383-5 10.1126/science.1212858
7. Grimaud, A.; May, K. J.; Carlton, C. E.; Lee, Y. L.; Risch, M.; Hong, W. T.; Zhou, J. G.; Shao-Horn, Y. Nat. Commun. 2013, 4, 2439 10.1038/ncomms3439
8. Zhu, Y. L.; Zhou, W.; Chen, Z. G.; Chen, Y. B.; Su, C.; Tade, M. O.; Shao, Z. P. Angew. Chem., Int. Ed. 2015, 54, 3897-3901 10.1002/anie.201408998
9. Chang, S. H.; Danilovic, N.; Chang, K. C.; Subbaraman, R.; Paulikas, A. P.; Fong, D. D.; Highland, M. J.; Baldo, P. M.; Stamenkovic, V. R.; Freeland, J. W.; Eastman, J. A.; Markovic, N. M. Nat. Commun. 2014, 5, 4191 10.1038/ncomms5191
10. Lee, Y. L.; Kleis, J.; Rossmeisl, J.; Shao-Horn, Y.; Morgan, D. Energy Environ. Sci. 2011, 4, 3966-3970 10.1039/c1ee02032c
11. May, K. J.; Carlton, C. E.; Stoerzinger, K. A.; Risch, M.; Suntivich, J.; Lee, Y. L.; Grimaud, A.; Shao-Horn, Y. J. Phys. Chem. Lett. 2012, 3, 3264-3270 10.1021/jz301414z
12. Han, B.; Risch, M.; Lee, Y.-L.; Ling, C.; Jia, H.; Shao-Horn, Y. Phys. Chem. Chem. Phys. 2015, 17, 22576-22580 10.1039/C5CP04248H
13. Man, I. C.; Su, H. Y.; Calle-Vallejo, F.; Hansen, H. A.; Martinez, J. I.; Inoglu, N. G.; Kitchin, J.; Jaramillo, T. F.; Norskov, J. K.; Rossmeisl, J. ChemCatChem 2011, 3, 1159-1165 10.1002/cctc.201000397
14. Calle-Vallejo, F.; Díaz-Morales, O. A.; Kolb, M. J.; Koper, M. T. ACS Catal. 2015, 5, 869-873 10.1021/cs5016657
15. Akhade, S. A.; Kitchin, J. R. J. Chem. Phys. 2012, 137, 084703-9 10.1063/1.4746117
16. Wang, Y.; Cheng, H. P. J. Phys. Chem. C 2013, 117, 2106-2112 10.1021/jp309203k
17. Rong, X.; Kolpak, A. M. J. Phys. Chem. Lett. 2015, 6, 1785-1789 10.1021/acs.jpclett.5b00509
18. Lee, Y.-L.; Gadre, M. J.; Shao-Horn, Y.; Morgan, D. Phys. Chem. Chem. Phys. 2015, 17, 21643-21663 10.1039/C5CP02834E
19. Bajdich, M.; García-Mota, M. n.; Vojvodic, A.; Nørskov, J. K.; Bell, A. T. J. Am. Chem. Soc. 2013, 135, 13521-13530 10.1021/ja405997s
20. Seo, M. H.; Park, H. W.; Lee, D. U.; Park, M. G.; Chen, Z. ACS Catal. 2015, 5, 4337-4344 10.1021/acscatal.5b00114
21. Xu, S.-M.; Pan, T.; Dou, Y.-B.; Yan, H.; Zhang, S.-T.; Ning, F.-Y.; Shi, W.-Y.; Wei, M. J. Phys. Chem. C 2015, 119, 18823-18834 10.1021/acs.jpcc.5b01819
22. Shao, Z.; Haile, S. M. Nature 2004, 431, 170-173 10.1038/nature02863
23. Kim, G.; Wang, S.; Jacobson, A.; Yuan, Z.; Donner, W.; Chen, C.; Reimus, L.; Brodersen, P.; Mims, C. Appl. Phys. Lett. 2006, 88, 024103 10.1063/1.2163257
24. Hardin, W. G.; Slanac, D. A.; Wang, X.; Dai, S.; Johnston, K. P.; Stevenson, K. J. J. Phys. Chem. Lett. 2013, 4, 1254-1259 10.1021/jz400595z
25. Fierro, S.; Nagel, T.; Baltruschat, H.; Comninellis, C. Electrochem. Commun. 2007, 9, 1969-1974 10.1016/j.elecom.2007.05.008
26. Wohlfahrt-Mehrens, M.; Heitbaum, J. J. Electroanal. Chem. Interfacial Electrochem. 1987, 237, 251-260 10.1016/0022-0728(87)85237-3
27. Macounova, K.; Makarova, M.; Krtil, P. Electrochem. Commun. 2009, 11, 1865-1868 10.1016/j.elecom.2009.08.004
28. Colomer, M. T.; Fumo, D. A.; Jurado, J. R.; Segadaes, A. M. J. Mater. Chem. 1999, 9, 2505-2510 10.1039/a902808k
29. Bockris, J. O.; Otagawa, T. J. Phys. Chem. 1983, 87, 2960-2971 10.1021/j100238a048
30. Goodenough, J.; Cushing, B. Handbook of Fuel Cells-Fundamentals, Technology and Applications; Wiley: Chichester, U.K., 2003; Vol. 2.
31. Kresse, G.; Furthmüller, J. Phys. Rev. B: Condens. Matter Mater. Phys. 1996, 54, 11169 10.1103/PhysRevB.54.11169
32. Blöchl, P. E. Phys. Rev. B: Condens. Matter Mater. Phys. 1994, 50, 17953 10.1103/PhysRevB.50.17953
33. Hammer, B.; Hansen, L. B.; Nørskov, J. K. Phys. Rev. B: Condens. Matter Mater. Phys. 1999, 59, 7413 10.1103/PhysRevB.59.7413
34. Wang, L.; Maxisch, T.; Ceder, G. Phys. Rev. B: Condens. Matter Mater. Phys. 2006, 73, 195107 10.1103/PhysRevB.73.195107
35. Su, H.-Y.; Gorlin, Y.; Man, I. C.; Calle-Vallejo, F.; Nørskov, J. K.; Jaramillo, T. F.; Rossmeisl, J. Phys. Chem. Chem. Phys. 2012, 14, 14010-14022 10.1039/c2cp40841d
36. Sakong, S.; Naderian, M.; Mathew, K.; Hennig, R. G.; Groß, A. J. Chem. Phys. 2015, 142, 234107 10.1063/1.4922615
37. Haggerty, R. P.; Seshadri, R. J. Phys.: Condens. Matter 2004, 16, 6477 10.1088/0953-8984/16/36/013
38. Cheng, X.; Fabbri, E.; Nachtegaal, M.; Castelli, I. E.; El Kazzi, M.; Haumont, R.; Marzari, N.; Schmidt, T. J. Chem. Mater. 2015, 27, 7662-7672 10.1021/acs.chemmater.5b03138