Intrinsic electrochemical and strain effects in nanoparticles

Journal of Physical Chemistry C

Volumn 117, Issue 5, 2013, Pages 2334-2343

  Mamatkulov, Mikhail ^b   Filhol, Jean Sébastien ^a  

^a UNIVERSITÉ DE MONTPELLIER   (France)

^b BORESKOV INSTITUTE OF CATALYSIS   (Russian Federation)

Author keywords

[No Author keywords available]

Indexed keywords

ADSORBED CO; ADSORPTION ENERGIES; C-O STRETCH; ELECTROCHEMICAL EFFECTS; ELECTROCHEMICAL SYSTEMS; LOCAL ELECTRIC FIELD; LOCAL WORK FUNCTION; NANOMETRIC SIZE; NEGATIVE CHARGING; PT ATOMS; SIZE AND SHAPE; SPECIFIC REACTIVITY; STRAIN EFFECT; STRAINED SURFACES;

ADSORPTION; CATALYSIS; CHARGE TRANSFER; DENSITY FUNCTIONAL THEORY; ELECTRIC FIELDS; ELECTROCATALYSIS; ELECTRONIC STRUCTURE; PLATINUM;

NANOPARTICLES;

EID: 84873426207     PISSN: 19327447     EISSN: 19327455     Source Type: Journal    
DOI: 10.1021/jp3099494     Document Type: Article

References (65)

1. Haruta, A. Chem. Rec. 2003, 3, 75-87
2. Lopez, N.; Janssens, T. V. W.; Clausen, B. S.; Xu, Y.; Mavrikakis, M.; Bligaard, T.; Nørskov, J. K. J. Catal. 2004, 223, 232-235
3. Kleis, J.; Greeley, J.; Romero, N. A.; Morozov, V. A.; Falsig, H.; Larsen, A. H.; Lu, J.; Mortensen, J. J.; Dulak, M.; Thygesen, K. Catal. Lett. 2011, 141, 1067-1071
4. Yudanov, I. V.; Metzner, M.; Genest, A.; Rösch, N. J. Phys. Chem. C 2008, 112, 20269-20275
5. Yudanov, I. V.; Genest, A.; Schauermann, S.; Freund, H. J.; Rösch, N. Nano Lett. 2012, 12, 2134-2139
6. Bligaard, T.; Nørskov, J. K. Electrochim. Acta 2007, 52, 5512-5516
7. Lopez, N.; Nørskov, J. K. J. Am. Chem. Soc. 2002, 124, 11262-11263
8. Allian, A. D.; Takanabe, K.; Fujdala, K. L.; Hao, X.; Truex, T. J.; Cai, J.; Buda, C.; Neurock, M.; Iglesia, E. J. Am. Chem. Soc. 2011, 133, 4498-4517
9. Janik, M. J.; Taylor, C. D.; Neurock, M. J. Electrochem. Soc. 2009, 156, B126-B135
10. Filhol, J. S.; Simon, D.; Sautet, P. J. Am. Chem. Soc. 2004, 126, 3228-3233
11. Mavrikakis, M.; Hammer, B.; Nørskov, J. K. Phys. Rev. Lett. 1998, 81, 2819-2822
12. Sanchez, A.; Abbet, S.; Heiz, U.; Schneider, W. D.; Häkkinen, H.; Barnett, R. N.; Landman, U. J. Phys. Chem. A 1999, 103, 9573-9578
13. Chaki, N. K.; Tsunoyama, H.; Negishi, Y.; Sakurai, H.; Tsukuda, T. J. Phys. Chem. C 2007, 111, 4885-4888
14. Qiu, L. M.; Liu, F.; Zhao, L. Z.; Yang, W. S.; Yao, J. N. Langmuir 2006, 22, 4480-4482
15. Vanharde, R.; Hartog, F. Surf. Sci. 1969, 15, 189-230
16. Wang, T.; Lee, C.; Schmidt, L. D. Surf. Sci. 1985, 163, 181-197
17. Shi, A. C.; Masel, R. I. J. Catal. 1989, 120, 421-431
18. Ramachandran, A. S.; Anderson, S. L.; Datye, A. K. Ultramicroscopy 1993, 51, 282-297
19. Lee, W. H.; Vanloon, K. R.; Petrova, V.; Woodhouse, J. B.; Loxton, C. M.; Masel, R. I. J. Catal. 1990, 126, 658-670
20. Perdew, J. P.; Burke, K.; Ernzerhof, M. Phys. Rev. Lett. 1996, 77, 3865-3868
21. Blöchl, P. E. Phys. Rev. B 1994, 50, 17953-17979
22. Kresse, G.; Joubert, D. Phys. Rev. B 1999, 59, 1758-1775
23. Kresse, G.; Furthmüller, J. Comput. Mater. Sci. 1996, 6, 15-50
24. Kresse, G.; Hafner, J. Phys. Rev. B 1994, 49, 14251-14269
25. Mamatkulov, M.; Filhol, J. S. Phys. Chem. Chem. Phys. 2011, 13, 7675-7684
26. Filhol, J. S.; Neurock, M. Angew. Chem., Int. Ed. 2006, 45, 402-406
27. Taylor, C. D.; Wasileski, S. A.; Filhol, J. S.; Neurock, M. Phys. Rev. B 2006, 73, 165402-1-165402-16
28. Filhol, J.-S.; Filhol, J.-S.; Combelles, C.; Yazami, R.; Doublet, M.-L. J. Phys. Chem. C 2008, 112, 3982-3988
29. Filhol, J. S.; Simon, D.; Sautet, P. Surf. Sci. 2001, 472, L139-L144
30. Filhol, J. S.; Saint-Lager, M. C.; De Santis, M.; Dolle, P.; Simon, D.; Baudoing-Savois, R.; Bertolini, J. C.; Sautet, P. Phys. Rev. Lett. 2002, 89, 146106-1-146101-4
31. Dalverny, A.-L.; Filhol, J.-S.; Doublet, M.-L. J. Mater. Chem. 2011, 21, 10134-10142
32. Feibelman, P. J. Phys. Rev. B 1997, 56, 2175-2182
33. Filhol, J. S.; Bocquet, M. L. Chem. Phys. Lett. 2007, 438, 203-207
34. Filhol, J.-S.; Doublet, M.-L. Catal. Today 2013, 202, 87-97
35. Smoluchowski, R. Phys. Rev. 1941, 60, 661-674
36. Lang, N. D.; Kohn, W. Phys. Rev. B 1971, 3, 1215-1223
37. Besocke, K.; Krahlurban, B.; Wagner, H. Surf. Sci. 1977, 68, 39-46
38. Jia, J. F.; Inoue, K.; Hasegawa, Y.; Yang, W. S.; Sakurai, T. Phys. Rev. B 1998, 58, 1193-1196
39. Herring, C.; Nichols, M. H. Rev. Mod. Phys. 1949, 21, 185-270
40. Fall, C. J.; Binggeli, N.; Baldereschi, A. Phys. Rev. B 2002, 66, 075405-1-075405-10
41. Stephens, I. E. L.; Bondarenko, A. S.; Grønbjerg, U.; Rossmeisl, J.; Chorkendorff, I. Energy Environ. Sci 2012, 5, 6744-6762
42. Hammer, B.; Nørskov, J. K. Theoretical surface science and catalysis-Calculations and concepts. In Impact of Surface Science on Catalysis; Advances in Catalysis 45; Elsevier Academic Press: San Diego, 2000; pp 71-129.
43. Filhol, J. S.; Simon, D.; Sautet, P. Phys. Rev. B 2001, 64, 085412-1-085412-11
44. Feibelman, P. J.; Hammer, B.; Nørskov, J. K.; Wagner, F.; Scheffler, M.; Stumpf, R.; Watwe, R.; Dumesic, J. J. Phys. Chem. B 2001, 105, 4018-4025
45. Olsen, C. W.; Masel, R. I. Surf. Sci. 1988, 201, 444-460
46. Klünker, C.; Balden, M.; Lehwald, S.; Daum, W. Surf. Sci. 1996, 360, 104-111
47. Lundwall, M. J.; McClure, S. M.; Goodman, D. W. J. Phys. Chem. C 2010, 114, 7904-7912
48. Feydt, J.; Elbe, A.; Meister, G.; Goldmann, A. Surf. Sci. 2000, 445, 115-122
49. Lu, G. Q.; White, J. O.; Wieckowski, A. Surf. Sci. 2004, 564, 131-140
50. Luo, J. S.; Tobin, R. G.; Lambert, D. K. Chem. Phys. Lett. 1993, 204, 445-450
51. Dabo, I.; Cancès, E.; Li, Y.; Mazari, N. arXiv.org, e-Print Arch., Condens. Matter 2010, arXiv:0901.0096 [cond-mat.mtrl-sci]
52. Lozovoi, A. Y.; Alavi, A. J. Electroanal. Chem. 2007, 607, 140-146
53. Luo, J. S.; Tobin, R. G.; Lambert, D. K.; Fisher, G. B.; Dimaggio, C. L. J. Chem. Phys. 1993, 99, 1347-1355
54. Garcia-Hernández, M.; Curulla, D.; Clotet, A.; Illas, F. J. Chem. Phys. 2000, 113, 364-368
55. Grinberg, I.; Yourdshahyan, Y.; Rappe, A. M. J. Chem. Phys. 2002, 117, 2264-2270
56. Yeo, Y. Y.; Vattuone, L.; King, D. A. J. Chem. Phys. 1997, 106, 392-401
57. Grabow, L.; Xu, Y.; Mavrikakis, M. Phys. Chem. Chem. Phys. 2006, 8, 3369-3374
58. Brajczewska, M.; Vieira, A.; Fiolhais, C.; Perdew, J. P. Prog. Surf. Sci. 1996, 53, 305-313
59. Qi, W. H.; Wang, M. P. J. Nanopart. Res. 2005, 7, 51-57
60. Huang, Z. X.; Thomson, P.; Di, S. L. J. Phys. Chem. Solids 2007, 68, 530-535
61. Qi, W. H.; Huang, B. Y.; Wang, M. P. Nanoscale Res. Lett. 2009, 4, 269-273
62. Dederichs, F.; Friedrich, K. A.; Daum, W. J. Phys. Chem. B 2000, 104, 6626-6632
63. Abon, M.; Billy, J.; Bertolini, J. C.; Tardy, B. Surf. Sci. 1986, 167, L187-L193
64. Abon, M.; Billy, J.; Bertolini, J. C. Surf. Sci. 1986, 171, L387-L394
65. Fall, C. J.; Binggeli, N.; Baldereschi, A. Phys. Rev. B 2002, 65, 045401-1-045401-6