Fitting EXAFS data using molecular dynamics outputs and a histogram approach

Physical Review B - Condensed Matter and Materials Physics

Volumn 85, Issue 7, 2012, Pages

  Price, Stephen W T ^a   Zonias, Nicholas ^a   Skylaris, Chris Kriton ^a   Hyde, Timothy I ^b   Ravel, Bruce ^c   Russell, Andrea E ^a  

^a UNIVERSITY OF SOUTHAMPTON   (United Kingdom)

^b JOHNSON MATTHEY TECHNOLOGY CENTRE   (United Kingdom)

^c NATIONAL INSTITUTE OF STANDARDS AND TECHNOLOGY   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

EID: 84857766783     PISSN: 10980121     EISSN: 1550235X     Source Type: Journal    
DOI: 10.1103/PhysRevB.85.075439     Document Type: Article

References (51)

1. T. Shido and R. Prins, J. Phys. Chem. B 1520-6106 10.1021/jp982322j 102, 8426 (1998).
2. B. S. Clausen, L. Grabaek, H. Topsoe, L. B. Hansen, P. Stoltze, J. K. Norskov, and O. H. Nielsen, J. Catal. JCTLA5 0021-9517 10.1006/jcat.1993.1147 141, 368 (1993).
3. B. S. Clausen, H. Topsøe, L. B. Hansen, P. Stoltze, and J. K. Nørskov, Catalysis Today 0920-5861 10.1016/0920-5861(94)80033-2 21, 49 (1994).
4. E. Curis and S. Benazeth, J. Synchrotron Radiat. JSYRES 0909-0495 10.1107/S0909049504032261 12, 361 (2005). (Pubitemid 41557613)
5. S. Calvin, S. X. Luo, C. Caragianis-Broadbridge, J. K. McGuinness, E. Anderson, A. Lehman, K. H. Wee, S. A. Morrison, and L. K. Kurihara, Appl. Phys. Lett. 0003-6951 10.1063/1.2137872 87, 233102 (2005). (Pubitemid 41741092)
6. Y. Sun, A. I. Frenkel, R. Isseroff, C. Shonbrun, M. Forman, K. Shin, T. Koga, H. White, L. Zhang, Y. Zhu, M. H. Rafailovich, and J. C. Sokolov, Langmuir LANGD5 0743-7463 10.1021/la052686k 22, 807 (2006). (Pubitemid 43164820)
7. E. Bus, J. T. Miller, A. J. Kropf, R. Prins, and J. A. van Bokhoven, Phys. Chem. Chem. Phys. 1463-9076 10.1039/b605248g 8, 3248 (2006).
8. P. Fornasini, F. Monti, and A. Sanson, J. Synchrotron Radiat. JSYRES 0909-0495 10.1107/S0909049501014923 8, 1214 (2001). (Pubitemid 33576469)
9. M. Bauer and H. Bertagnolli, J. Phys. Chem. B JPCBFK 1520-6106 10.1021/jp076386i 111, 13756 (2007).
10. G. Dalba and P. Fornasini, J. Synchrotron Radiat. JSYRES 0909-0495 10.1107/S0909049597006900 4, 243 (1997). (Pubitemid 127091829)
11. K. A. Daly and J. E. Penner-Hahn, J. Synchrotron Radiat. JSYRES 0909-0495 10.1107/S0909049598004336 5, 1383 (1998). (Pubitemid 128157206)
12. M. R. Martin and G. A. Somorjai, Phys. Rev. B PRBMDO 1098-0121 10.1103/PhysRevB.7.3607 7, 3607 (1973).
13. W. J. Huang, R. Sun, J. Tao, L. D. Menard, R. G. Nuzzo, and J. M. Zuo, Nat. Mater. 1476-1122 10.1038/nmat2132 7, 308 (2008). (Pubitemid 351430896)
14. R. Smoluchowski, Phys. Rev. PHRVAO 0031-899X 10.1103/PhysRev.60.661 60, 661 (1941).
15. L. Pauling, J. Am. Chem. Soc. JACSAT 0002-7863 10.1021/ja01195a024 69, 542 (1947).
16. M. Vaarkamp, Catalysis Today 0920-5861 10.1016/S0920-5861(97)00111-9 39, 271 (1998).
17. B. S. Clausen, H. Topsoe, L. B. Hansen, P. Stoltze, and J. K. Norskov, Jpn. J. Appl. Phys. 32, 95 (1993).
18. G. Bunker, Nucl. Instrum. Methods NUIMAL 0167-5087 10.1016/0167-5087(83) 90655-5 207, 437 (1983). (Pubitemid 13559515)
19. E. C. Marques, D. R. Sandstrom, F. W. Lytle, and R. B. Greegor, J. Chem. Phys. JCPSA6 0021-9606 10.1063/1.443914 77, 1027 (1982).
20. R. B. Greegor and F. W. Lytle, J. Catal. JCTLA5 0021-9517 10.1016/0021-9517(80)90102-5 63, 476 (1980).
21. A. I. Frenkel, Z. Kristallogr. ZEKRDZ 0044-2968 10.1524/zkri.2007.222.11. 605 222, 605 (2007).
22. J. M. Montejano-Carrizales, F. Aguilera-Granja, and J. L. Moran-Lopez, Nanostruct. Mater. NMAEE7 0965-9773 10.1016/S0965-9773(97)00168-2 8, 269 (1997).
23. A. M. Beale and B. M. Weckhuysen, Phys. Chem. Chem. Phys. 1463-9076 10.1039/b925206a 12, 5562 (2010).
24. Y. Okamoto, Nucl. Instrum. Methods A 0168-9002 10.1016/j.nima.2004.02.025 526, 572 (2004).
25. B. Gilbert, H. Zhang, F. Huang, J. F. Banfield, Y. Ren, D. Haskel, J. C. Lang, G. Srajer, A. Jürgensen, and G. A. Waychunas, J. Chem. Phys. JCPSA6 0021-9606 10.1063/1.1752890 120, 11785 (2004).
26. P. Eisenberger and G. S. Brown, Solid State Commun. SSCOA4 0038-1098 10.1016/0038-1098(79)90790-7 29, 481 (1979). (Pubitemid 9459164)
27. A. Yevick and A. I. Frenkel, Phys. Rev. B PRBMDO 1098-0121 10.1103/PhysRevB.81.115451 81, 115451 (2010).
28. B. Ravel, E. Cockayne, M. Newville, and K. M. Rabe, Phys. Rev. B PRBMDO 1098-0121 10.1103/PhysRevB.60.14632 60, 14632 (1999).
29. B. Ravel, Y. I. Kim, P. M. Woodward, and C. M. Fang, Phys. Rev. B PRBMDO 1098-0121 10.1103/PhysRevB.73.184121 73, 184121 (2006). (Pubitemid 43764887)
30. W. Smith and T. R. Forester, J. Mol. Graphics JMGRDV 0263-7855 10.1016/S0263-7855(96)00043-4 14, 136 (1996). (Pubitemid 26372493)
31. B. Ravel, J. Synchrotron Radiat. JSYRES 0909-0495 10.1107/ S090904950001493X 8, 314 (2001). (Pubitemid 33661377)
32. F. Cleri and V. Rosato, Phys. Rev. B PRBMDO 1098-0121 10.1103/PhysRevB.48.22 48, 22 (1993).
33. A. P. Sutton and J. Chen, Philos. Mag. Lett. PMLEEG 0950-0839 10.1080/09500839008206493 61, 139 (1990).
34. O. M. Roscioni, N. Zonias, S. W. T. Price, A. E. Russell, T. Comaschi, and C. K. Skylaris, Phys. Rev. B PRBMDO 1098-0121 10.1103/PhysRevB.83.115409 83, 115409 (2011).
35. B. Ravel and M. Newville, J. Synchrotron Radiat. JSYRES 0909-0495 10.1107/S0909049505012719 12, 537 (2005). (Pubitemid 41557599)
36. J. J. Rehr, R. C. Albers, and S. I. Zabinsky, Phys. Rev. Lett. PRLTAO 0031-9007 10.1103/PhysRevLett.69.3397 69, 3397 (1992).
37. M. Newville, J. Synchrotron Radiat. JSYRES 0909-0495 10.1107/ S0909049500016290 8, 96 (2001). (Pubitemid 33661316)
38. M. Newville, P. Līviņ, Y. Yacoby, J. J. Rehr, and E. A. Stern, Phys. Rev. B PRBMDO 1098-0121 10.1103/PhysRevB.47.14126 47, 14126 (1993).
39. B. Ravel and S. D. Kelly, AIP Conf. Proc. 0094-243X 10.1063/1.2644458 882, 150 (2006).
40. A. Jentys, Phys. Chem. Chem. Phys. 1463-9076 10.1039/a904654b 1, 4059 (1999).
41. R. E. Benfield, J. Chem. Soc., Faraday Trans. JCFTEV 0956-5000 10.1039/ft9928801107 88, 1107 (1992).
42. (Bruker AXS Ltd., Karlsruhe, 2005).
43. D. Ozkaya, Platinum Metal Reviews 0032-1400 10.1595/147106708X264095 52, 61 (2008).
44. L. Cervera Gontard, R. E. Dunin-Borkowski, D. Ozkaya, T. Hyde, P. A. Midgley, and P. Ash, J. Phys.: Conf. Ser. 1742-6588 10.1088/1742-6596/26/1/089 26, 367 (2006). (Pubitemid 43300926)
45. S. D. Kelly, D. Hesterberg, and B. Ravel, in Methods of Soil Analysis-Part 5. Mineralological Methods (Soil Science Society of America, Madison, WI, 2008), p. 387.
46. E. A. Stern, Y. Ma, O. Hanske-Petitpierre, and C. E. Bouldin, Phys. Rev. B PRBMDO 1098-0121 10.1103/PhysRevB.46.687 46, 687 (1992).
47. See Supplemental Material at http://link.aps.org/supplemental/10.1103/ PhysRevB.85.075439 for data on further Pt/C samples and comparisons between different fitting models.
48. G. D'Agostino, A. Pinto, and S. Mobilio, Phys. Rev. B PRBMDO 1098-0121 10.1103/PhysRevB.48.14447 48, 14447 (1993).
49. C. Mottet, J. Goniakowski, F. Baletto, R. Ferrando, and G. Treglia, Phase Transitions PHTRDP 0141-1594 10.1080/1411590310001622473 77, 101 (2004). (Pubitemid 40025856)
50. B. C. Curley, R. L. Johnston, N. P. Young, Z. Y. Li, M. Di Vece, R. E. Palmer, and A. L. Bleloch, J. Phys. Chem. C 1932-7447 10.1021/jp0713099 111, 17846 (2007). (Pubitemid 350279919)
51. P. V. Menacherry, M. Fernandez Garcia, and G. L. Haller, J. Catal. JCTLA5 0021-9517 10.1006/jcat.1997.1470 166, 75 (1997).