Structure sensitivity in the nonscalable regime explored via catalysed ethylene hydrogenation on supported platinum nanoclusters

Nature Communications

Volumn 7, Issue , 2016, Pages

  Crampton, Andrew S ^a   Rötzer, Marian D ^a   Ridge, Claron J ^a,b   Schweinberger, Florian F ^a   Heiz, Ueli ^a   Yoon, Bokwon ^c   Landman, Uzi ^c  

^a TECHNICAL UNIVERSITY OF MUNICH   (Germany)

^b AIR FORCE RESEARCH LABORATORY   (United States)

^c GEORGIA INSTITUTE OF TECHNOLOGY   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

CARBON MONOXIDE; ETHYLENE; MAGNESIUM OXIDE; PLATINUM NANOPARTICLE;

CATALYSIS; CATALYST; CHEMICAL REACTION; ETHYLENE; NANOPARTICLE; PARTICLE SIZE; PLATINUM; REACTION KINETICS;

AB INITIO CALCULATION; ADSORPTION; ARTICLE; BINDING SITE; CATALYSIS; CATALYST; CHEMICAL REACTION; CHEMICAL STRUCTURE; COMBUSTION; CONTROLLED STUDY; DEHYDROGENATION; DENSITY FUNCTIONAL THEORY; DESORPTION; DISSOCIATION; HYDROGENATION; ISOMER; PARTICLE SIZE; REACTION ANALYSIS; SIMULATION; SURFACE PROPERTY;

EID: 84956503820     PISSN: None     EISSN: 20411723     Source Type: Journal    
DOI: 10.1038/ncomms10389     Document Type: Article

References (66)

1. Boudart, M. in Advances in Catalysis Vol. 20 (eds Herman, P., Weisz, P. B. & Eley, D. D.) 153-166 (Academic, 1969).
2. Boudart, M., Aldag, A., Benson, J. E., Dougharty, N. A. & Girvin Harkins, C. On the specific activity of platinum catalysts. J. Catal. 6, 92-99 (1966).
3. Boudart, M., Aldag, A. W., Ptak, L. D. & Benson, J. E. On the selectivity of platinum catalysts. J. Catal. 11, 35-45 (1968).
4. Bond, G. C. The origins of particle size effects in heterogeneous catalysis. Surf. Sci 156 Part 2 966-981 (1985).
5. Bond, G. C. Supported metal catalysts: some unsolved problems. Chem. Soc. Rev. 20, 441-475 CS9912000441 (1991).
6. Che, M. & Bennett, C. O. in Advances in Catalysis Vol. 36 (eds Herman, P., Weisz, P. B. & Eley, D. D.) 55-172 (Academic, 1989).
7. Somorjai, G. A. & McCrea, K. Roadmap for catalysis science in the 21st century: a personal view of building the future on past and present accomplishments. Appl. Catal. A 222, 3-18 (2001).
8. Boudart, M. & Djéga-Mariadassou, G. Kinetics Of Heterogeneous Catalytic Reactions (Princeton Univ., 1984).
9. Cremer, P. S., Su, X., Shen, Y. R. & Somorjai, G. A. Ethylene hydrogenation on Pt(111) monitored in situ at high pressures using sum frequency generation. J. Am. Chem. Soc. 118, 2942-2949 (1996).
10. Horiuti, J. & Polanyi, M. Mechanism of the ethylene hydrogenation. Trans. Faraday Soc 30, 1164-1172 (1934).
11. Boudart, M. Heterogeneous catalysis by metals. J. Mol. Catal 30, 27-38 (1985).
12. Zaera, F. Key unanswered questions about the mechanism of olefin hydrogenation catalysis by transition-metal surfaces: a surface-science perspective. Phys. Chem. Chem. Phys. 15, 11988-12003 (2013).
13. Heiz, U. & Landman, U. Nanocatalysis (Springer, 2007).
14. Landman, U., Yoon, B., Zhang, C., Heiz, U. & Arenz, M. Factors in gold nanocatalysis: oxidation of CO in the non-scalable size regime. Top. Catal 44, 145-158 (2007).
15. Falsig, H. et al. Trends in the catalytic CO oxidation activity of nanoparticles. Angew. Chem. Int. Ed. 47, 4835-4839 (2008).
16. Hvolbæk, B. et al. Catalytic activity of Au nanoparticles. Nano Today 2, 14-18 (2007).
17. Janssens, T. V. W. et al. Insights into the reactivity of supported Au nanoparticles: combining theory and experiments. Top. Catal. 44, 15-26 (2007).
18. Häkkinen, H., Abbet, S., Sanchez, A., Heiz, U. & Landman, U. Structural, electronic, and impurity-doping effects in nanoscale chemistry: supported gold nanoclusters. Angew. Chem. Int. Ed. 42, 1297-1300 (2003).
19. Sanchez, A. et al. When gold is not noble: nanoscale gold catalysts. J. Phys. Chem. A 103, 9573-9578 (1999).
20. Harding, C. et al. Control and manipulation of gold nanocatalysis: effects of metal oxide support thickness and composition. J. Am. Chem. Soc. 131, 538-548 (2009).
21. Heiz, U. & Schneider, W.-D. Size-selected clusters on solid surfaces. Crit. Rev. Solid State Mater. Sci 26, 251-290 (2001).
22. Barhen, J., Protopopescu, V. & Reister, D. TRUST: a deterministic algorithm for global optimization. Science 276, 1094-1097 (1997).
23. Wales, D. J. & Scheraga, H. A. Global optimization of clusters, crystals, and biomolecules. Science 285, 1368-1372 (1999).
24. Wolf, M. D. & Landman, U. Genetic algorithms for structural cluster optimization. J. Phys. Chem. A 102, 6129-6137 (1998).
25. Zhao, Z.-J., Moskaleva, L. V., Aleksandrov, H. A., Basaran, D. & Rösch, N. Ethylidyne formation from ethylene over Pt(111): a mechanistic study from first-principle calculations. J. Phys. Chem. C 114, 12190-12201 (2010).
26. Kubota, J., Ichihara, S., Kondo, J. N., Domen, K. & Hirose, C. π-Bonded ethene on Pt(111) surface studied by IRAS. Surf. Sci. 357-358, 634-638 (1996).
27. Cassuto, A., Mane, M. & Jupille, J. Ethylene monolayer and multilayer on Pt(111) below 52 K: determination of bond lengths by near-edge X-ray fine structure. Surf. Sci. 249, 8-14 (1991).
28. Chatt, J. & Duncanson, L. A. Olefin co-ordination compounds. Part III. Infra-red spectra and structure: attempted preparation of acetylene complexes. J. Chem. Soc. 2939-2947 (1953).
29. Dewar, M. A review of π Complex Theory. Bull. Soc. Chim 18, C 71-C 79 (1951).
30. Neurock, M. & van Santen, R. A. A first principles analysis of C-H bond formation in ethylene hydrogenation. J. Phys. Chem. B 104, 11127-11145 (2000).
31. van Santen, R. A. & Neurock, M. Molecular Heterogeneous Catalysis: A Conceptual and Computational Approach (Wiley-VCH, 2006).
32. Sautet, P. & Paul, J.-F. Low temperature adsorption of ethylene and butadiene on platinum and palladium surfaces: a theoretical study of the diσ/π competition. Catal. Lett. 9, 245-260 (1991).
33. Yoon, B. et al. Probing of charging and reactivity of supported gold nanoclusters: Bonding of CO to gold octamers adsorbed on magnesia. Science 307, 403-407 (2005).
34. Cortright, R. D., Goddard, S. A., Rekoske, J. E. & Dumesic, J. A. Kinetic study of ethylene hydrogenation. J. Catal. 127, 342-353 (1991).
35. Rioux, R. M., Song, H., Hoefelmeyer, J. D., Yang, P. & Somorjai, G. A. High-surface-area catalyst design: synthesis, characterization, and reaction studies of platinum nanoparticles in mesoporous SBA-15 silica. J. Phys. Chem. B 109, 2192-2202 (2005).
36. Song, H. et al. Hydrothermal growth of mesoporous SBA-15 silica in the presence of PVP-stabilized Pt nanoparticles: synthesis, characterization, and catalytic properties. J. Am. Chem. Soc. 128, 3027-3037 (2006).
37. Beebe, Jr. T. P. & Yates, Jr. J. T. Spectroscopic detection of (111) facets on supported Pd crystallites: Site blocking by ethylidyne on Pd/Al2O3. Surf. Sci 173, L606-L612 (1986).
38. Chen, P., Kung, K. Y., Shen, Y. R. & Somorjai, G. A. Sum frequency generation spectroscopic study of CO/ethylene coadsorption on the Pt(1 1 1) surface and CO poisoning of catalytic ethylene hydrogenation. Surf. Sci 494, 289-297 (2001).
39. Lundwall, M. J., McClure, S. M. & Goodman, D. W. Probing Terrace and Step Sites on Pt Nanoparticles Using CO and Ethylene. J. Phys. Chem. C 114, 7904-7912 (2010).
40. Rioux, R. M. et al. Adsorption and co-adsorption of ethylene and carbon monoxide on silica-supported monodisperse pt nanoparticles: volumetric adsorption and infrared spectroscopy studies. Langmuir 24, 198-207 (2008).
41. Kesmodel, L. L., Dubois, L. H. & Somorjai, G. A. LEED analysis of acetylene and ethylene chemisorption on the Pt(111) surface: Evidence for ethylidyne formation. J. Chem. Phys. 70, 2180-2188 (1979).
42. Mohsin, S. B., Trenary, M. & Robota, H. J. Infrared identification of the low-temperature forms of ethylene adsorbed on platinum/alumina. J. Phys. Chem. 92, 5229-5233 (1988).
43. Land, T. A., Michely, T., Behm, R. J., Hemminger, J. C. & Comsa, G. Direct observation of surface reactions by scanning tunneling microscopy: Ethylene→ethylidyne→carbon particles→graphite on Pt(111). J. Chem. Phys. 97, 6774-6783 (1992).
44. +. Angew. Chem. Int. Ed. 49, 980-983 (2010).
45. + : from cryogenicpartial oxidation yielding formaldehyde to cold ethylene production. J. Phys. Chem. C 115, 6788-6795 (2011).
46. Ertl, G., Knözinger, H., Schüth, F. & Weitkamp, J. Handbook of Heterogeneous Catalysis 2 edn (Wiley-VCH, 2008).
47. Heiz, U., Vanolli, F., Trento, L. & Schneider, W.-D. Chemical Reactivity of size-selected supported clusters: an experimental setup. Rev. Sci. Inst 68, 1986-1994 (1997).
48. Schweinberger, F. F. et al. Submonolayer sensitive adsorption study of trichloroethene on single crystal surfaces by means of MIES, UPS and TPD. Surf. Sci. 609, 18-29 (2013).
49. Kolmakov, A., Stultz, J. & Goodman, D. W. Characterization of surface defects on MgO thin films by ultraviolet photoelectron and metastable impact electron spectroscopies. J. Chem. Phys. 113, 7564-7570 (2000).
50. Benedetti, S., Benia, H. M., Nilius, N., Valeri, S. & Freund, H. J. Morphology and optical properties of MgO thin films on Mo(0 0 1). Chem. Phys. Lett. 430, 330-335 (2006).
51. Kim, Y. D., Stultz, J. & Goodman, D. W. Characterization of MgO(1 0 0) thin film growth on Mo(1 0 0). Surf. Sci 506, 228-234 (2002).
52. Zaera, F., Kollin, E. & Gland, J. L. Observation of an unusually low CO stretching frequency: CO chemisorption on a Mo(100) surface. Chem. Phys. Lett. 121, 464-468 (1985).
53. Wettergren, K. et al. High sintering resistance of size-selected platinum cluster catalysts by suppressed Ostwald ripening. Nano Lett. 14, 5803-5809 (2014).
54. Fukamori, Y. et al. Fundamental insight into the substrate-dependent ripening of monodisperse clusters. ChemCatChem 5, 3330-3341 (2013).
55. Harding, C. J. et al. Dual pulsed-beam controlled mole fraction studies of the catalytic oxidation of CO on supported Pd nanocatalysts. J. Catal. 255, 234-240 (2008).
56. Amenomiya, Y. & Pottie, R. F. Mass spectra of some deuterated ethanes. I. The effect of ionizing voltage. Can. J. Chem. 46, 1735-1739 (1968).
57. Ricci, D., Bongiorno, A., Pacchioni, G. & Landman, U. Bonding trends and dimensionality crossover of gold nanoclusters on metal-supported MgO thin films. Phys. Rev. Lett. 97, 036106 (2006).
58. Yoon, B. & Landman, U. Electric field control of structure, dimensionality, and reactivity of gold nanoclusters on metal-supported MgO films. Phys. Rev. Lett. 100, 056102 (2008).
59. Zhang, C., Yoon, B. & Landman, U. Predicted oxidation of CO catalyzed by Au nanoclusters on a thin defect-free MgO film supported on a Mo(100) surface. J. Am. Chem. Soc. 129, 2228-2229 (2007).
60. Vaida, M. E. et al. Ultrathin magnesia films as support for molecules and metal clusters: Tuning reactivity by thickness and composition. Phys. Status Solidi B 247, 1001-1015 (2010).
61. Kresse, G. & Joubert, D. From ultrasoft pseudopotentials to the projector augmented-wave method. Phys. Rev. B 59, 1758-1775 (1999).
62. Levy, M. & Perdew, J. P. Tightly bound and convexity constraint on the exchange-correlation-energy functional in the low-density limit, and other formal tests of generalized-gradient approximations. Phys. Rev. B 48, 11638 (1993). Erratum 55, 13321 (1997).
63. Levy, M. & Perdew, J. P. Tight bound and convexity constraint on the exchange-correlation-energy functional in the low-density limit, and other formal tests of generalized-gradient approximations. Phys. Rev. B 48, 11638-11645 (1993).
64. Perdew, J. P. Electronic Structure of Solids. (eds Ziesche, P. & Eschrig, H.) 11-20 (Akademie, 1991).
65. Perdew, J. P., Burke, K. & Ernzerhof, M. Generalized gradient approximation made simple. Phys. Rev. Lett. 77, 3865-3868 (1996).
66. Perdew, J. P. et al. Atoms, molecules, solids, and surfaces: Applications of the generalized gradient approximation for exchange and correlation. Phys. Rev. B 46, 6671-6687 (1992).