Correlation between theoretical descriptor and catalytic oxygen reduction activity of graphene supported palladium and palladium alloy electrocatalysts

Journal of Power Sources

Volumn 300, Issue , 2015, Pages 1-9

  Seo, Min Ho ^a   Choi, Sung Mook ^b   Lee, Dong Un ^a   Kim, Won Bae ^b   Chen, Zhongwei ^a  

^a UNIVERSITY OF WATERLOO   (Canada)

^b Gwangju Institute of Science and Technology (GIST)   (South Korea)

Author keywords

Density functional theory; Dissolution potential; Electrocatalyst; Graphene; Oxygen reduction reaction; Palladium

Indexed keywords

ALKALINE FUEL CELLS; BINDING ENERGY; CALCULATIONS; CATALYST ACTIVITY; CATALYST SUPPORTS; CATALYSTS; DENSITY FUNCTIONAL THEORY; DISSOLUTION; ELECTROCATALYSTS; ELECTRODES; ELECTROLYTIC REDUCTION; FUEL CELLS; GRAPHENE; ION EXCHANGE MEMBRANES; METAL NANOPARTICLES; NANOPARTICLES; OXYGEN; PALLADIUM ALLOYS; PLATINUM ALLOYS; POLYELECTROLYTES; POLYMER MEMBRANE ELECTRODES; PROTON EXCHANGE MEMBRANE FUEL CELLS (PEMFC); ROTATING DISKS; SILVER; SILVER ALLOYS; X RAY PHOTOELECTRON SPECTROSCOPY;

AB INITIO DENSITY FUNCTIONAL THEORIES (DFT); ANION-EXCHANGE MEMBRANE FUEL CELLS; DISPERSED CATALYST PARTICLES; DISPERSED NANOPARTICLES; GRAPHENE NANOSHEETS; OXYGEN REDUCTION REACTION; POLYMER ELECTROLYTE FUEL CELLS; ROTATING DISK ELECTRODES;

PALLADIUM;

EID: 84942081720     PISSN: 03787753     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.jpowsour.2015.08.079     Document Type: Article

References (89)

1. W. Vielstich, A. Lamm, and H.A. Gasteiger Handbook of Fuel Cells Fundamentals Technology and Applications 2003 John Wiley & Sons Ltd. London
2. K.A. Kuttiyiel, K. Sasaki, Y. Choi, D. Su, P. Liu, and R.R. Adzic Energy Environ. Sci. 5 2012 5297
3. L. Tang, B. Han, K. Persson, C. Friesen, T. He, K. Sieradzki, and G. Ceder J. Am. Chem. Soc. 132 2010 596 600
4. M.H. Seo, S.M. Choi, E.J. Lim, I.H. Kwon, J.K. Seo, S.H. Noh, W.B. Kim, and B. Han ChemSusChem 7 2014 2609 2620
5. M. Winter, and R.J. Brodd Chem. Rev. 104 2004 4245 4269
6. H.A. Gasteiger, J.E. Panels, and S.G. Yan J. Power Sources 127 2004 162 171
7. S.M. Choi, M.H. Seo, H.J. Kim, and W.B. Kim Carbon 49 2011 904 909
8. K.C. Neyerlin, W. Gu, J. Jorne, and H.A. Gasteiger J. Electrochem. Soc. 154 2007 B631 B635
9. S.M. Choi, M.H. Seo, H.J. Kim, E.J. Lim, and W.B. Kim Int. J. Hydrog. Energy 35 2010 6853 6862
10. M.H. Seo, S.M. Choi, H.J. Kim, J.H. Kim, B.K. Cho, and W.B. Kim J. Power Sources 179 2008 81 86
11. M.H. Seo, S.M. Choi, H.J. Kim, and W.B. Kim Electrochem. Commun. 13 2011 182 185
12. M.H. Seo, E.J. Lim, S.M. Choi, H.J. Kim, and W.B. Kim Top. Catal. 53 2010 678 685
13. N.P. Subramanian, X. Li, V. Nallathambi, S.P. Kumaraguru, H. Colon-Mercado, G. Wu, J.-W. Lee, and B.N. Popov J. Power Sources 188 2009 38 44
14. R. Bashyam, and P. Zelenay Nature 443 2006 63 66
15. F. Bidault, D.J.L. Brett, P.H. Middleton, and N.P. Brandon J. Power Sources 187 2009 39 48
16. J.S. Park, S.H. Park, S.D. Yim, Y.G. Yoon, W.Y. Lee, and C.S. Kim J. Power Sources 178 2008 620 626
17. K. Asazawa, K. Yamada, H. Tanaka, A. Oka, M. Taniguchi, and T. Kobayashi Angew. Chem. 119 2007 8170 8173
18. M. Oezaslan, F. Hasche, and P. Strasser J. Electrochem. Soc. 159 2012 B444 B454
19. M.H. Shao, K. Sasaki, and R.R. Adzic J. Am. Chem. Soc. 128 2006 3526 3527
20. M.H. Shao, T. Huang, P. Liu, J. Zhang, K. Sasaki, M.B. Vukmirovic, and R.R. Adzic Langmuir 22 2006 10409 10415
21. S. Zhang, X. Yuan, H. Wang, W. Mérida, H. Zhuc, J. Shen, S. Wu, and J. Zhang Int. J. Hydrog. Energy 34 2009 388 404
22. E. Antolini, J.R.C. Salgado, M.J. Giz, and E.R. Gonzalez Int. J. Hydrog. Energy 30 2005 1213 1220
23. M.H. Shao, P. Liu, J. Zhang, and R.R. Adzic J. Phys. Chem. B 111 2007 6772 6775
24. M. Pourbaix Atlas of Electrochemical Equilibria in Aqueous Solutions 1974 National Association of Corrosion Engineers, the University of Michigan
25. W. Vielstich, A. Lamm, and H.A. Gasteiger Handbook of Fuel Cells Fundamentals Technology and Applications 2003 John Wiley & Sons Ltd. London
26. Y.C. Wei, C.W. Liu, Y.W. Chang, C.M. Lai, P.Y. Lim, L.D. Tsai, and K.W. Wang Int. J. Hydrog. Energy 35 2010 1864 1871
27. L. Jiang, A. Hsu, D. Chu, and R. Chen J. Electrochem. Soc. 156 2009 B370 B376
28. L. Jiang, A. Hsu, D. Chu, and R. Chen Electrochim. Acta 55 2010 4506 4511
29. H. Liu, C. Song, L. Zhang, J. Zhang, H. Wang, and D.P. Wilkinson J. Power Sources 155 2006 95
30. A. Peigney, C. Laurent, E. Flahaut, R.R. Bacsa, and A. Rousset Carbon 39 2001 507 514
31. A.K. Geim, and K.S. Novoselov Nat. Mater. 6 2007 183 191
32. K.S. Novoselov, A.K. Geim, S.V. Morozov, D. Jiang, M.I. Katsnelson, I.V. Grigorieva, S.V. Dubonos, and A.A. Firsov Nature 438 2005 197 200
33. K.I. Bolotin, K.J. Sikes, Z. Jiang, M. Klima, G. Fudenberg, J. Hone, P. Kim, and H.L. Stormer Solid State Commun. 146 2008 351 355
34. C. Soldano, A. Mahmood, and E. Dujardin Carbon 48 2010 2127 2150
35. S.M.S. Kumar, J.S. Herrero, S. Irusta, and K. Scott J. Electroanal. Chem. 647 2010 211 221
36. Y.Y. Shao, G.P. Yin, and Y.Z. Gao J. Power Sources 171 2007 558 566
37. B. Avasarala, R. Moore, and P. Haldar Electrochim. Acta 55 2010 4765 4771
38. S. Maass, F. Finsterwalder, G. Frank, R. Hartmann, and C. Merten J. Power Sources 176 2008 444 451
39. K. Gotoh, K. Kawabata, E. Fujii, K. Morishige, T. Kinumoto, Y. Miyazaki, and H. Ishida Carbon 47 2009 2112 2142
40. S.M. Choi, M.H. Seo, H.J. Kim, and W.B. Kim Synth. Met. 161 2011 2405 2411
41. M.H. Seo, S.M. Choi, J.K. Seo, S.H. Noh, W.B. Kim, and B. Han Appl. Catal. B Environ. 129 2013 163 171
42. B. Hammer, and J.K. Norskov Nature 376 1995 238 240
43. B. Hammer, and J.K. Norskov Surf. Sci. 343 1995 211 220
44. U.B. Demirci J. Power Sources 173 2007 11 18
45. M. Shao, K. Sasaki, N.S. Marinkovic, L. Zhang, and R.R. Adzic Electrochem. Commun. 9 2007 2848 2853
46. J. Greeley, and M. Mavrikakis Nat. Mater 3 2004 810 815
47. J. Greeley, I.E.L. Stephens, A.S. Bondarenko, T.P. Johansson, H.A. Hansen, T.F. Jaramillo, J. Rossmeisl, I. Chorkendorff, and J.K. Nørskov Nat. Chem. 1 2009 552 556
48. N.I. Kovtyukhova, P.J. Ollivier, B.R. Martin, T.E. Mallouk, S.A. Chizhik, E.V. Buzaneva, and A.D. Gorchinskiy Chem. Mater. 11 1999 771 778
49. T.J. Schmidt, H.A. Gasteiger, G.D. Stab, P.M. Urban, D.M. Kolb, and R.J. Behm J. Electrochem. Soc. 145 1998 2354 2358
50. K.J.J. Mayrhofer, D. Strmcnik, B.B. Blizanac, V. Stamenkovic, M. Arenz, and N.M. Markovic Electrochim. Acta 53 2008 3181 3188
51. G. Kresse, and J. Furthmüller Phys. Rev. B 54 1996 11169
52. P. Hohenberg, and W. Kohn Phys. Rev. 136 1964 B864 B871
53. W. Kohn, and L.J. Sham Phys. Rev. A 140 1965 1133 1138
54. G. Kresse, and D. Joubert Phys. Rev. B 59 1999 1758
55. P.E. Blöchl Phys. Rev. B 50 1994 17953
56. J.P. Perdew, K. Burke, and M. Ernzerhof Phys. Rev. Lett. 77 1996 3865
57. J.P. Perdew, K. Burke, and Y. Wang Phys. Rev. B 54 1996 16533 16539
58. G. Kresse, and J. Furthmuller Comput. Mater. Sci. 6 1996 15 50
59. M. Methfessel, and A.T. Paxton Phys. Rev. B 40 1989 3616 3621
60. E. Antolini Appl. Catal. B Environ. 88 2009 1 24
61. J. Perez, E.R. Gonzalez, and E.A. Ticianelli Electrochim. Acta 44 1998 1329 1339
62. L. Genies, R. Faure, and R. Durand Electrochim. Acta 44 1998 1317 1327
63. E. Antolini Mater. Chem. Phys. 78 2003 563 573
64. J.H. Kim, S.M. Choi, S.H. Nam, M.H. Seo, S.H. Choi, and W.B. Kim Appl. Catal. B Environ. 82 2008 89 102
65. F.J. Nores-Pondal, I.M.J. Vilella, H. Troiani, M. Granada, S.R.d. Miguel, O.A. Scelza, and H.R. Corti Int. J. Hydrog. Energy 34 2009 8193 8203
66. K. Lee, O. Savadogo, A. Ishihara, S. Mitsushima, N. Kamiya, and K.I. Otac J. Electrochem. Soc. 153 2006 A20 A24
67. M. Wakisaka, S. Mitsui, Y. Hirose, K. Kawashima, H. Uchida, and M. Watanabe J. Phys. Chem. B 110 2006 23489 23496
68. H.J. Kim, Y.S. Kim, M.H. Seo, S.M. Choi, and W.B. Kim Electrochem. Commun. 11 2009 446 449
69. A.V. Naumkin, A. Kraut-Vass, S.W. Gaarenstroom, and C.J. Powell, National Institute of Standards and Technology, Gaithersburg 2000
70. I.G. Casella, and M. Contursi J. Electroanal. Chem. 588 2006 147 154
71. J. Greeley, I.E.L. Stephens, A.S. Bondarenko, T.P. Johansson, H.A. Hansen, T.F. Jaramillo, J. Rossmeisl, I. Chorkendorff, and J.K. Nørskov Nat. Chem. 1 2009 552 556
72. P. Kratzer, B. Hammer, and J.K. Nørskov J. Chem. Phys. 105 1996 5595 6005
73. H.C. Schniepp, J.L. Li, M.J. McAllister, H. Sai, M. Herrera-Alonso, D.H. Adamson, R.K. Prud'homme, R. Car, D.A. Saville, and I.A. Aksay J. Phys. Chem. B 110 2006 8535 8539
74. N.M. Markovic, B.N. Grgur, and P.N. Ross J. Phys. Chem. B 101 1997 5405 5413
75. S.J. Yoo, H.Y. Park, T.Y. Jeon, I.S. Park, Y.H. Cho, and Y.E. Sung Angew. Chem. Int. 47 2008 9307 9310
76. H.A. Gasteiger, N.M. Markovic. J. Phys. Chem. 99 1995 8290 8301
77. S. Takenaka, N. Susuki, H. Miyamoto, E. Tanabe, H. Matsunea, and M. Kishidaa Chem. Commun. 46 2010 8950 8952
78. L. Jiang, A. Hsu, D. Chu, and R. Chen J. Electrochem. Soc. 156 2009 B643 B649
79. J. Greeley, I.E.L. Stephens, A.S. Bondarenko, T.P. Johansson, H.A. Hansen, T.F. Jaramillo, J. Rossmeisl, I. Chorkendorff, and J.K. Nørskov Nat. Chem. 1 2009 552 556
80. U.A. Paulus, T.J. Schmidt, H.A. Gasteiger, and R.J. Behm J. Electroanal. Chem. 495 2001 134 145
81. J. Guo, A. Hsu, D. Chu, and R. Chen J. Phys. Chem. C 114 2010 4324 4330
82. F.H.B. Lima, J. Zhang, M.H. Shao, K. Sasaki, M.B. Vukmirovic, E.A. Ticianelli, and R.R. Adzic J. Phys. Chem. C 111 2007 404 410
83. N. Ramaswamy, U. Tylus, Q. Jia, and S. Mukerjee J. Am. Chem. Soc. 135 2013 15443 15449
84. N. Ramaswamy, and S. Mukerjee Adv. Phys. Chem. 2012 2012 17
85. R.K. Singh, R. Rahul, and M. Neergat Phys. Chem. Chem. Phys. 15 2013 13044 13051
86. D. Higgins, M.A. Hoque, M.H. Seo, R. Wang, F. Hassan, J.-Y. Choi, M. Pritzker, A. Yu, J. Zhang, and Z. Chen Adv. Funct. Mater. 24 2014 4325 4336
87. J.K. Seo, A. Khetan, M.H. Seo, H. Kim, and B. Han J. Power Sources 238 2013 137 143
88. S.H. Noh, M.H. Seo, J.K. Seo, P. Fischer, and B. Han Nanoscale 5 2013 8625 8633
89. D. Higgins, F.M. Hassan, M.H. Seo, J.-Y. Choi, M.A. Hoque, D.U. Lee, and Z. Chen J. Mater. Chem. A 3 2015 6340 6350