Theoretical study of local electronic alloy effects of OOH, OH, and O adsorption on Pt-Pd cluster model

Journal of Physical Chemistry C

Volumn 115, Issue 18, 2011, Pages 9105-9116

  Huang, Yu Wei ^a   Chou, Ting Yi ^a   Yu, Guan Yi ^a   Lee, Shyi Long ^a  

^a NATIONAL CHUNG CHENG UNIVERSITY   (Taiwan)

Author keywords

[No Author keywords available]

Indexed keywords

ACTIVE SITE; ADSORPTION BEHAVIOR; ADSORPTION ENERGIES; ALLOY CLUSTER; ALLOY EFFECT; ATOM-PROJECTED DENSITY; BEST CHOICE; CATALYTIC ABILITY; CLUSTER MODELS; DENSITY FUNCTIONAL THEORY METHODS; OXYGEN REDUCTION REACTION; PD ATOMS; POPULATION DENSITIES; PT ATOMS; PT-BASED CATALYST; THEORETICAL STUDY;

ADSORPTION; ALLOYS; ATOMS; DENSITY FUNCTIONAL THEORY; ELECTROLYTIC REDUCTION; PLATINUM; PLATINUM COMPOUNDS; POPULATION STATISTICS;

PLATINUM ALLOYS;

EID: 79955881522     PISSN: 19327447     EISSN: 19327455     Source Type: Journal    
DOI: 10.1021/jp2000859     Document Type: Article

References (29)

1. Markovic, N. Surf. Sci. Rep. 2002, 45, 117
2. Stamenkovic, V. R.; Fowler, B.; Mun, B. S.; Wang, G.; Ross, P. N.; Lucas, C. A.; Marković, N. M. Science 2007, 315, 493
3. Nilekar, A. U.; Mavrikakis, M. Surf. Sci. 2008, 602, L89
4. Nørskov, J. K.; Rossmeisl, J.; Logadottir, a.; Lindqvist, L.; Kitchin, J. R.; Bligaard, T.; Jónsson, H. J. Phys. Chem. B 2004, 108, 17886
5. Anderson, A. B.; Roques, J.; Mukerjee, S.; Murthi, V. S.; Markovic, N. M.; Stamenkovic, V. J. Phys. Chem. B 2005, 109, 1198
6. Drillet, J.; Ee, a.; Friedemann, J.; Kotz, R.; Schnyder, B.; Schmidt, V. Electrochim. Acta 2002, 47, 1983
7. Jaouen, F. d. r. J. Phys. Chem. C 2009, 113, 15433
8. Jeon, T.-Y.; Yoo, S. J.; Cho, Y.-H.; Lee, K.-S.; Kang, S. H.; Sung, Y.-E. J. Phys. Chem. C 2009, 113, 19732
9. Marković, N. M.; Schmidt, T. J.; Stamenković, V.; Ross, P. N. Fuel Cells 2001, 1, 105
10. Toda, T. J. Electrochem. Soc. 1999, 146, 3750
11. Toda, T. J. Electrochem. Soc. 1998, 145, 4185
12. Zhang, J.; Mo, Y.; Vukmirovic, M. B.; Klie, R.; Sasaki, K.; Adzic, R. R. J. Phys. Chem. B 2004, 108, 10955
13. Zhang, J.; Vukmirovic, M. B.; Sasaki, K.; Nilekar, A. U.; Mavrikakis, M.; Adzic, R. R. J. Am. Chem. Soc. 2005, 127, 12480
14. Stern, E. Phys. Rev. B 1972, 5, 366
15. Stamenkovic, V. R.; Mun, B. S.; Arenz, M.; Mayrhofer, K. J. J.; Lucas, C. a.; Wang, G.; Ross, P. N.; Markovic, N. M. Nat. Mater. 2007, 6, 241
16. Roques, J. r. m.; Anderson, A. B. J. Electrochem. Soc. 2004, 151, E85
17. Xu, Y.; Ruban, A. V.; Mavrikakis, M. J. Am. Chem. Soc. 2004, 126, 4717
18. Gu, Z.; Balbuena, P. B. J. Phys. Chem. C 2008, 112, 5057
19. Calvo, S. R.; Balbuena, P. B. Surf. Sci. 2007, 601, 4786
20. Kitchin, J. R.; Nørskov, J. K.; Barteau, M. a.; Chen, J. G. J. Chem. Phys. 2004, 120, 10240
21. Sepa, D. B.; Vojnovic, M. V.; Damjanovic, A. Electrochim. Acta 1981, 26, 781
22. Sepa, D. B.; Vojnovic, M. V.; Vracar, L. M.; Damjanovic, A. Electrochim. Acta 1987, 32, 129
23. Becke, A. D. J. Chem. Phys. 1993, 98, 5648
24. Dill, J. D. J. Chem. Phys. 1975, 62, 2921
25. Hay, P. J.; Wadt, W. R. J. Chem. Phys. 1985, 82, 299
26. Antolini, E. Energy Environ. Sci. 2009, 2, 915
27. Frisch, M. J.; Trucks, G. W.; Schlegel, H. B.; Scuseria, G. E.; Robb, M. A.; Cheeseman, J. R.; Scalmani, G.; Barone, V.; Mennucci, B.; Petersson, G. A.; Nakatsuji, H.; Caricato, M.; Li, X.; Hratchian, H. P.; Izmaylov, A. F.; Bloino, J.; Zheng, G.; Sonnenberg, J. L.; Hada, M.; Ehara, M.; Toyota, K.; Fukuda, R.; Hasegawa, J.; Ishida, M.; Nakajima, T.; Honda, Y.; Kitao, O.; Nakai, H.; Vreven, T.; Montgomery, J. A., Jr.; Peralta, J. E.; Ogliaro, F.; Bearpark, M.; Heyd, J. J.; Brothers, E.; Kudin, K. N.; Staroverov, V. N.; Kobayashi, R.; Normand, J.; Raghavachari, K.; Rendell, A.; Burant, J. C.; Iyengar, S. S.; Tomasi, J.; Cossi, M.; Rega, N.; Millam, N. J.; Klene, M.; Knox, J. E.; Cross, J. B.; Bakken, V.; Adamo, C.; Jaramillo, J.; Gomperts, R.; Stratmann, R. E.; Yazyev, O.; Austin, A. J.; Cammi, R.; Pomelli, C.; Ochterski, J. W.; Martin, R. L.; Morokuma, K.; Zakrzewski, V. G.; Voth, G. A.; Salvador, P.; Dannenberg, J. J.; Dapprich, S.; Daniels, A. D.; Farkas, Ö.; Foresman, J. B.; Ortiz, J. V.; Cioslowski, J.; Fox, D. J. Gaussian 03, revision E01; Gaussian, Inc.: Wallingford, CT, 2003.
28. Gorelsky, S. J. Organomet. Chem. 2001, 635, 187
29. Gorelsky, S. I. AOMix: Program for Molecular Orbital Analysis, http://www.sg-chem.net/, University of Ottawa, version 6.4, 2010.