Modeling the structure and composition of nanoparticles by extended X-ray absorption fine-structure spectroscopy

Annual Review of Analytical Chemistry

Volumn 4, Issue , 2011, Pages 23-39

  Frenkel, Anatoly I ^a   Yevick, Aaron ^a   Cooper, Chana ^a   Vasic, Relja ^a  

^a YESHIVA UNIVERSITY   (United States)

Author keywords

composition; coordination numbers; disorder; shape; structure

Indexed keywords

COMPOSITIONAL CHARACTERIZATION; COMPOSITIONAL DISTRIBUTION; COORDINATION NUMBERS; DISORDER; ENHANCED REACTIVITY; EXAFS; EXAFS DATA; EXTENDED X-RAY ABSORPTION FINE STRUCTURES; METAL CLUSTER; NANOCATALYSTS; SAMPLE HOMOGENEITY; SHAPE; SIZE RANGES; STRUCTURAL DISORDERS; SYNCHROTRON SOURCE; THREE-DIMENSIONAL MODELING;

ABSORPTION; DISTRIBUTION FUNCTIONS; NANOPARTICLES; THREE DIMENSIONAL; X RAY ABSORPTION;

ABSORPTION SPECTROSCOPY;

EID: 79959503435     PISSN: 19361327     EISSN: 19361335     Source Type: Book Series    
DOI: 10.1146/annurev-anchem-061010-113906     Document Type: Review

References (66)

1. Sayers DE, Stern EA, Lytle FW. 1971. New technique for investigating noncrystalline structures: Fourier analysis of the extended X-ray absorption fine structure. Phys. Rev. Lett. 27:1204-7
2. Lytle FW, Via GH, Sinfelt J. 1977. Determination of structure of Cu and Cu-Ru on carriers using X-ray absorption spectroscopy. Erd̈ol Kohle Erdgas Petrochem. 30:231
3. Sinfelt JH, Via GH, Lytle FW. 1978. Extended X-ray absorption fine-structure (EXAFS) of supported platinum catalysts. J. Chem. Phys. 68:2009-10
4. Meitzner G, Via GH, Lytle FW, Sinfelt JH. 1983. Structure of bimetallic clusters̈extended X-ray absorption fine-structure (EXAFS) studies of Rh-Cu clusters. J. Chem. Phys. 78:882-89
5. Meitzner G, Via GH, Lytle FW, Sinfelt JH. 1987. Structure of bimetallic clusters̈extended X-ray absorption fine-structure (EXAFS) of Pt-Re and Pd-Re clusters. J. Chem. Phys. 87:6354-63
6. Treacy MMJ, Rice SB. 1989. Catalyst particle sizes from Rutherford scattered intensities. J. Microsc. 156:211-34 (Pubitemid 20021190)
7. Singhal A, Yang JC, Gibson JM. 1997. STEM-based mass spectroscopy of supported Re clusters. Ultramicroscopy 67:191-206 (Pubitemid 27288100)
8. Zabinsky SI, Rehr JJ, Ankudinov A, Albers RC, Eller MJ. 1995. Multiple-scattering calculations of X-ray absorption spectra. Phys. Rev. B 52:2995-3009
9. Bunker G. 1983. Application of the ratio method of EXAFS analysis to disordered systems. Nucl. Instrum. Methods 207:437-44 (Pubitemid 13559515)
10. Rehr JJ, Albers RC. 2000. Theoretical approaches to X-ray absorption fine structure. Rev. Mod. Phys. 72:621-54
11. Crozier ED, Rehr JJ, Ingalls R. 1988. Amorphous and liquid systems. In X-Ray Absorption Spectroscopy, ed. DC Koningsberger, R Prins, pp. 373-442. New York: Wiley
12. Bus E, Miller JT, Kropf AJ, Prins R, van Bokhoven JA. 2006. Analysis of in situ EXAFS data of supported metal catalysts using the third and fourth cumulant. Phys. Chem. Chem. Phys. 8:3248-58
13. Kang JH, Menard LD, Nuzzo RG, Frenkel AI. 2006. Unusual non-bulk properties in nanoscale materials: thermalmetal-metal bond contraction of γ -alumina-supported Pt catalysts. J. Am. Chem. Soc. 128:12068- 69
14. Sanchez SI, Menard LD, Bram A, Kang JH, Small MW, et al. 2009. The emergence of nonbulk properties in supported metal clusters: negative thermal expansion and atomic disorder in Pt nanoclusters supported on γ -Al2O3. J. Am. Chem. Soc. 131:7040-54
15. Frenkel AI, Rehr JJ. 1993. Thermal expansion and X-ray absorption fine-structure cumulants. Phys. Rev. B 48:585-88
16. Sevillano E, Meuth H, Rehr JJ. 1979. Extended X-ray absorption fine-structure Debye-Waller factors. I. Monatomic crystals. Phys. Rev. B 20:4908-11
17. Brillouin L. 1962. Science and Information Theory. New York: Academic
18. Ravel B, Newville M. 2005. ATHENA, ARTEMIS, HEPHAESTUS: data analysis for X-ray absorption spectroscopy using IFEFFIT. J. Synchrotron Radiat. 12:537-41 (Pubitemid 41557599)
19. Gurman SJ, Binsted N, Ross I. 1984. A rapid, exact curved-wave theory for EXAFS calculations. J. Phys. C 17:143-51
20. Filipponi A, Di Cicco A, Natoli CR. 1995. X-ray-absorption spectroscopy and n-body distribution functions in condensed matter. I. Theory. Phys. Rev. B 52:15122-34
21. Frenkel AI. 1999. Solving the structure of nanoparticles by multiple-scattering EXAFS analysis. J. Synchrotron Radiat. 6:293-95 (Pubitemid 129488946)
22. Nashner MS, Frenkel AI, Adler DL, Shapley JR, Nuzzo RG. 1997. Structural characterization of carbonsupported platinum-ruthenium nanoparticles from the molecular cluster precursor Pt Ru5C(CO)16. J. Am. Chem. Soc. 119:7760-71 (Pubitemid 27376391)
23. Frenkel A. 2007. Solving the 3D structure of metal nanoparticles. Z. Kristallogr. 222:605-11
24. Via GH, Drake KF, Meitzner G, Lytle FW, Sinfelt JH. 1990. Analysis of EXAFS data on bimetallic clusters. Catal. Lett. 5:25-33
25. Frenkel AI, Hills CW, Nuzzo RG. 2001. A view from the inside: complexity in the atomic scale ordering of supported metal nanoparticles. J. Phys. Chem. B 105:12689-703 (Pubitemid 35338266)
26. Greegor RB, Lytle FW. 1980. Morphology of supported metal clusters̈determination by EXAFS and chemisorption. J. Catal. 63:476-86
27. Glasner D, Frenkel AI. 2007. Geometrical characteristics of regular polyhedra: application to EXAFS studies of nanoclusters. Am. Inst. Phys. Conf. Proc. 882:746-48
28. Roldan Cuenya B, Croy JR, Mostafa S, Behafarid F, Li L, et al. 2010. Solving the structure of size-selected Pt nanocatalysts synthesized by inverse micelle encapsulation. J. Am. Chem. Soc. 132:8747-56
29. Benfield RE. 1992. Mean coordination numbers and the nonmetal metal transition in clusters. J. Chem. Soc. Faraday Trans. 88:1107-10
30. Fritsche HG, Benfield RE. 1993. Exact analytical formulas for mean coordination numbers in clusters. Z. Phys. D 26:S15-S17
31. Montejano-Carrizales JM, Aguilera-Granja F, Moran-Lopez JL. 1997. Direct enumeration of the geometrical characteristics of clusters. Nanostruct. Mater. 8:269-87 (Pubitemid 127433877)
32. Jentys A. 1999. Estimation of mean size and shape of small metal particles by EXAFS. Phys. Chem. Chem. Phys. 1:4059-63
33. Beale AM, Weckhuysen BM. 2010. EXAFS as a tool to interrogate the size and shape of mono and bimetallic catalyst nanoparticles. Phys. Chem. Chem. Phys. 12:5562-74
34. Calvin S, Miller MM, Goswami R, Cheng SF, Mulvaney SP, et al. 2003. Determination of crystallite size in a magnetic nanocomposite using extended X-ray absorption fine structure. J. Appl. Phys. 94:778-83
35. Pirkkalainen K, Serimaa R. 2009. Coordination number in ideal spherical nanocrystals. J. Appl. Crystallogr. 42:442-47
36. Frenkel AI, Frankel SC, Liu TB. 2005. Structural stability of giant polyoxomolybdate molecules as probed by EXAFS. Phys. Scr. T115:721-23 (Pubitemid 351524969)
37. Frenkel AI, Stern EA, Voronel A, Heald SM. 1996. Lattice strains in disordered mixed salts. Solid State Commun. 99:67-71 (Pubitemid 126408133)
38. Nashner MS, Frenkel AI, Somerville D, Hills CW, Shapley JR, Nuzzo RG. 1998. Core shell inversion during nucleation and growth of bimetallic Pt/Ru nanoparticles. J. Am. Chem. Soc. 120:8093-101 (Pubitemid 28417621)
39. Hills CW, Nashner MS, Frenkel AI, Shapley JR, Nuzzo RG. 1999. Carbon support effects on bimetallic Pt-Ru nanoparticles formed from molecular precursors. Langmuir 15:690-700
40. Knecht MR, Weir MG, Frenkel AI, Crooks RM. 2008. Structural rearrangement of bimetallic alloy Pd Au nanoparticles within dendrimer templates to yield core/shell configurations. Chem. Mater. 20:1019-28 (Pubitemid 351315698)
41. Weir MG, Knecht MR, Frenkel AI, Crooks RM. 2010. Structural analysis of Pd Au dendrimer- encapsulated bimetallic nanoparticles. Langmuir 26:1137-46
42. Toshima N, Harada M, Yonezawa T, Kushihashi K, Asakura K. 1991. Structural analysis of polymerprotected Pd/Pt bimetallic clusters as dispersed catalysts by using extended X-ray absorption fine-structure spectroscopy. J. Phys. Chem. 95:7448-53
43. Toshima N, Yonezawa T. 1998. Bimetallic nanoparticles̈novel materials for chemical and physical applications. New J. Chem. 22:1179-201 (Pubitemid 128710042)
44. Harada M, Asakura K, Toshima N. 1994. Structural-analysis of polymer-protected platinum/rhodium bimetallic clusters using extended X-ray absorption fine-structure spectroscopÿimportance of microclusters for the formation of bimetallic clusters. J. Phys. Chem. 98:2653-62
45. Asakura K, Bian CR, Suzuki S, Chun WJ, Watari N, et al. 2005. An XAFS study on the polymer protected Cu Pd bimetallic nanoparticles̈a novel heterobond-philic structure. Phys. Scr. T115:781-83 (Pubitemid 351524986)
46. Menard LD, Wang Q, Kang JH, Sealey AJ, Girolami GS, et al. 2009. Structural characterization of bimetallic nanomaterials with overlapping X-ray absorption edges. Phys. Rev. B 80:064111
47. Hwang BJ, Sarma LS, Chen JM, Chen CH, Shih SC, et al. 2005. Structural models and atomic distribution of bimetallic nanoparticles as investigated by X-ray absorption spectroscopy. J. Am. Chem. Soc. 127:11140- 45
48. Cowley JM. 1965. Short-range order and long-range order parameters. Phys. Rev. 138:A1384-89
49. Frenkel AI, Machavariani VS, Rubshtein A, Rosenberg Y, Voronel A, Stern EA. 2000. Local structure of disordered Au-Cu and Au-Ag alloys. Phys. Rev. B 62:9364-71 (Pubitemid 32336083)
50. Sun Y, Frenkel AI, Isseroff R, Shonbrun C, Forman M, et al. 2006. Characterization of palladium nanoparticles by using X-ray reflectivity, EXAFS, and electron microscopy. Langmuir 22:807-16 (Pubitemid 43164820)
51. Carter AC, Bouldin CE, Kemner KM, Bell MI, Woicik JC, Majetich SA. 1997. Surface structure of cadmium selenide nanocrystallites. Phys. Rev. B 55:13822-28
52. Shiang JJ, Kadavanich AV, Grubbs RK, Alivisatos AP. 1995. Symmetry of annealed wurtzite Cd Se nanocrystals̈assignment to the C3v point group. J. Phys. Chem. 99:17417-22
53. Diaz dela Rubia T, Gilmer G. 2002. Cluster nucleation: watching nanoclusters nucleate. Nat. Mater. 1:89-90
54. Wang L-L, Johnson DD. 2007. Density functional study of structural trends for late-transition-metal 13-atom clusters. Phys. Rev. B 75:235405-14
55. Chernyshev A. 2008. Melting of surface layers of nanoparticles: Landau model. Mater. Chem. Phys. 112:226-29
56. Lopez-Cartes C, Rojas TC, Litran R, Martinez-Martinez D, dela Fuente JM, et al. 2005. Gold nanoparticleswith different capping systems: an electronic and structural XAS analysis. J. Phys. Chem. B 109:8761-66 (Pubitemid 40750910)
57. Mays CW, Vermaak JS, Kuhlmann D. 1968. On surface stress and surface tension. II. Determination of surface stress of gold. Surf. Sci. 12:134-40
58. Purdum H, Montano PA, Shenoy GK, Morrison T. 1982. Extended X-ray absorption fine-structure study of small Fe molecules isolated in solid neon. Phys. Rev. B 25:4412-17
59. Woltersdorf J, Nepijko AS, Pippel E. 1981. Dependence of lattice parameters of small particles on the size of the nuclei. Surf. Sci. 106:64-69
60. Qi WH, Wang MP, Su YC. 2002. Size effect on the lattice parameters of nanoparticles. J. Mater. Sci. Lett. 21:877-78 (Pubitemid 34811777)
61. Lamber R, Wetjen S, Jaeger NI. 1995. Size dependence of the lattice parameter of small palladium particles. Phys. Rev. B 51:10968-71
62. Huang WJ, Sun R, Tao J, Menard LD, Nuzzo RG, Zuo JM. 2008. Coordination-dependent surface atomic contraction in nanocrystals revealed by coherent diffraction. Nat. Mater. 7:308-13 (Pubitemid 351430896)
63. Yevick A, Frenkel AI. 2010. Effects of surface disorder on EXAFS modeling of metallic clusters. Phys. Rev. B 81:11451-57
64. Guo N, Fingland BR, Williams WD, Kispersky VF, Jelic J, et al. 2010. Determination of CO, H2O and H2 coverage by XANES and EXAFS on Pt and Au during water gas shift reaction. Phys. Chem. Chem. Phys. 12:5678-93
65. Menard LD, Xu HP, Gao SP, Twesten RD, Harper AS, et al. 2006. Metal core bonding motifs of monodisperse icosahedral Au13 and larger Au monolayer-protected clusters as revealed by X-ray absorption spectroscopy and transmission electron microscopy. J. Phys. Chem. B 110:14564-73 (Pubitemid 44325029)
66. Frenkel AI, Nemzer S, Pister I, Soussan L, Harris T, et al. 2005. Size-controlled synthesis and characterization of thiol-stabilized gold nanoparticles. J. Chem. Phys. 123:184701-6