Surface Tension Effects on the Reactivity of Metal Nanoparticles

Journal of Physical Chemistry Letters

Volumn 6, Issue 19, 2015, Pages 3797-3801

  Li, Lin ^a   Abild Pedersen, Frank ^b   Greeley, Jeff ^c   Nørskov, Jens K ^a,b  

^a Stanford University   (United States)

^b SLAC NATIONAL ACCELERATOR LABORATORY   (United States)

^c Purdue University   (United States)

Author keywords

DFT; finite size effects; heterogeneous catalysis

Indexed keywords

ADSORBATES; ADSORPTION; CATALYSIS; CHEMICAL BONDS; GOLD; GOLD COMPOUNDS; METAL NANOPARTICLES; PLATINUM; SIZE DETERMINATION; SURFACE TENSION;

ADSORPTION ENERGIES; CLOSE-PACKED SURFACES; DFT; EXTENDED SURFACES; FINITE SIZE EFFECT; PLATINUM CLUSTERS; QUANTUM SIZE EFFECTS; SURFACE TENSION EFFECTS;

DENSITY FUNCTIONAL THEORY;

EID: 84942853143     PISSN: None     EISSN: 19487185     Source Type: Journal    
DOI: 10.1021/acs.jpclett.5b01746     Document Type: Article

References (36)

1. Thomas, J.; Thomas, W. Principles and Practice of Heterogeneous Catalysis; VCH: Weinheim, Germany, 1997.
2. Gao, F.; Goodman, D. W. Model Catalysts: Simulating the Complexities of Heterogeneous Catalysts Annu. Rev. Phys. Chem. 2012, 63, 265-286 10.1146/annurev-physchem-032511-143722
3. Cuenya, B. R. Synthesis and Catalytic Properties of Metal Nanoparticles: Size, Shape, Support, Composition, and Oxidation State Effects Thin Solid Films 2010, 518, 3127-3150 10.1016/j.tsf.2010.01.018
4. Mayrhofer, K. J. J.; Arenz, M.; Blizanac, B. B.; Stamenkovic, V.; Ross, P. N.; Markovic, N. M. CO Surface Electrochemistry on Pt-nanoparticles: A Selective Review Electrochim. Acta 2005, 50, 5144-5154 10.1016/j.electacta.2005.02.070
5. Mayrhofer, K. J. J.; Blizanac, B. B.; Arenz, M.; Stamenkovic, V. R.; Ross, P. N.; Markovic, N. M. The Impact of Geometric and Surface Electronic Properties of Pt-Catalysts on the Particle Size Effect in Electrocatalysis J. Phys. Chem. B 2005, 109, 14433-14440 10.1021/jp051735z
6. Maillard, F.; Eikerling, M.; Cherstiouk, O. V.; Schreier, S.; Savinova, E.; Stimming, U. Size Effects on Reactivity of Pt Nanoparticles in CO Monolayer Oxidation: The Role of Surface Mobility Faraday Discuss. 2004, 125, 357 10.1039/b303911k
7. Bondzie, V.; Parker, S.; Campbell, C. The Kinetics of CO Oxidation by Adsorbed Oxygen on Well-defined Gold Particles on TiO2 (110) Catal. Lett. 1999, 63, 143-151 10.1023/A:1019012903936
8. Bondzie, V. A.; Parker, S. C.; Campbell, C. T. Oxygen Adsorption on Well-defined Gold Particles on TiO2(110) J. Vac. Sci. Technol., A 1999, 17, 1717 10.1116/1.581879
9. Lemire, C.; Meyer, R.; Shaikhutdinov, S. K.; Freund, H. J. CO Adsorption on Oxide Supported Gold: From Small Clusters to Monolayer Islands and Three-dimensional Nanoparticles Surf. Sci. 2004, 552, 27-34 10.1016/j.susc.2004.01.029
10. Flores-Camacho, J. M.; Fischer-Wolfarth, J. H.; Peter, M.; Campbell, C. T.; Schauermann, S.; Freund, H. J. Adsorption Energetics of CO on Supported Pd Nanoparticles as a Function of Particle Size by Single Crystal Microcalorimetry Phys. Chem. Chem. Phys. 2011, 13, 16800-16810 10.1039/c1cp21677e
11. Li, L.; Larsen, A. H.; Romero, N. A.; Morozov, V. A.; Glinsvad, C.; Abild-Pedersen, F.; Greeley, J.; Jacobsen, K. W.; Nørskov, J. K. Investigation of Catalytic Finite-size-effects of Platinum Metal Clusters J. Phys. Chem. Lett. 2013, 4, 222-226 10.1021/jz3018286
12. Hammer, B.; Hansen, L.; Nørskov, J. Improved Adsorption Energetics Within Density-functional Theory Using Revised Perdew-Burke-Ernzerhof Functionals Phys. Rev. B: Condens. Matter Mater. Phys. 1999, 59, 7413-7421 10.1103/PhysRevB.59.7413
13. Campbell, C.; Ertl, G.; Kuipers, H.; Segner, J. A Molecular Beam Study of the Adsorption and Desorption of Oxygen from a Pt(111) Surface Surf. Sci. 1981, 107, 220-236 10.1016/0039-6028(81)90622-1
14. Gland, J.; Sexton, B.; Fisher, G. Oxygen Interactions with the Pt(111) Surface Surf. Sci. 1980, 95, 587-602 10.1016/0039-6028(80)90197-1
15. Parker, D.; Bartram, M.; Koel, B. Study of High Coverages of Atomic Oxygen on the Pt(111) Surface Surf. Sci. 1989, 217, 489-510 10.1016/0039-6028(89)90443-3
16. Nilius, N.; Ernst, N.; Freund, H. J. Photon Emission Spectroscopy of Individual Oxide-supported Silver Clusters in a Scanning Tunneling Microscope Phys. Rev. Lett. 2000, 84, 3994-3997 10.1103/PhysRevLett.84.3994
17. Kleis, J.; Greeley, J.; Romero, N. a.; Morozov, V. a.; Falsig, H.; Larsen, a. H.; Lu, J.; Mortensen, J. J.; Duak, M.; Thygesen, K. S. et al. Finite Size Effects in Chemical Bonding: From Small Clusters to Solids Catal. Lett. 2011, 141, 1067-1071 10.1007/s10562-011-0632-0
18. Apai, G.; Hamilton, J.; Stohr, J.; Thompson, A. Extended X-Ray-Absorption Fine Structure of Small Cu and Ni Clusters: Binding-energy and Bond-length Changes with Cluster Size Phys. Rev. Lett. 1979, 43, 165-169 10.1103/PhysRevLett.43.165
19. Walsh, M. J.; Yoshida, K.; Kuwabara, A.; Pay, M. L.; Gai, P. L.; Boyes, E. D. On the Structural Origin of the Catalytic Properties of Inherently Strained Ultrasmall Decahedral Gold Nanoparticles Nano Lett. 2012, 12, 2027-2031 10.1021/nl300067q
20. Yudanov, I. V.; Genest, A.; Schauermann, S.; Freund, H.-J.; Rösch, N. Size Dependence of the Adsorption Energy of CO on Metal Nanoparticles: A DFT Search for the Minimum Value Nano Lett. 2012, 12, 2134-2139 10.1021/nl300515z
21. Huang, W. J.; Sun, R.; Tao, J.; Menard, L. D.; Nuzzo, R. G.; Zuo, J. M. Coordination-dependent Surface Atomic Contraction in Nanocrystals Revealed by Coherent Diffraction Nat. Mater. 2008, 7, 308-313 10.1038/nmat2132
22. Lei, Y.; Jelic, J.; Nitsche, L. C.; Meyer, R.; Miller, J. Effect of Particle Size and Adsorbates on the L3, L2 and L1 X-ray Absorption Near Edge Structure of Supported Pt Nanoparticles Top. Catal. 2011, 54, 334-348 10.1007/s11244-011-9662-5
23. Sanchez, S. I.; Menard, L. D.; Bram, A.; Kang, J. H.; Small, M. W.; Nuzzo, R. G.; Frenkel, A. I. The Emergence of Nonbulk Properties in Supported Metal Clusters: Negative Thermal Expansion and Atomic Disorder in Pt Nanoclusters Supported on Gamma-Al2O3 J. Am. Chem. Soc. 2009, 131, 7040-7054 10.1021/ja809182v
24. Mavrikakis, M.; Hammer, B.; Nørskov, J. Effect of Strain on the Reactivity of Metal Surfaces Phys. Rev. Lett. 1998, 81, 2819-2822 10.1103/PhysRevLett.81.2819
25. Perdew, J.; Brajczewska, M.; Fiolhais, C. Self-Compression of Metallic Clusters Under Surface Tension Solid State Commun. 1993, 88, 795-801 10.1016/0038-1098(93)90880-V
26. Jiang, Q.; Liang, L.; Zhao, D. Lattice Contraction and Surface Stress of Fcc Nanocrystals J. Phys. Chem. B 2001, 105, 6275-6277 10.1021/jp010995n
27. Starke, U.; Materer, N.; Barbieri, A.; Döll, R. A Low-energy Electron Diffraction Study of Oxygen, Water and Ice Adsorption on Pt (111) Surf. Sci. 1993, 287-288, 432-437 10.1016/0039-6028(93)90818-5
28. Small, M.; Sanchez, S.; Marinkovic, N. Influence of Adsorbates on the Electronic Structure, Bond Strain, and Thermal Properties of an Alumina-Supported Pt Catalyst ACS Nano 2012, 6, 5583-5595 10.1021/nn3015322
29. Peterson, A. A.; Grabow, L. C.; Brennan, T. P.; Shong, B.; Ooi, C.; Wu, D. M.; Li, C. W.; Kushwaha, A.; Medford, A. J.; Mbuga, F. et al. Finite-Size Effects in O and CO Adsorption for the Late Transition Metals Top. Catal. 2012, 55, 1276-1282 10.1007/s11244-012-9908-x
30. Nørskov, J. K.; Bligaard, T.; Hvolbaek, B.; Abild-Pedersen, F.; Chorkendorff, I.; Christensen, C. H. The Nature of the Active Site in Heterogeneous Metal Catalysis Chem. Soc. Rev. 2008, 37, 2163-2171 10.1039/b800260f
31. Hansen, L.; Stoltze, P.; Nørskov, J. Is There a Contraction of the Interatomic Distance in Small Metal Particles? Phys. Rev. Lett. 1990, 64, 3155-3158 10.1103/PhysRevLett.64.3155
32. Miller, S. D.; Kitchin, J. R. Relating the Coverage Dependence of Oxygen Adsorption on Au and Pt Fcc(111) Surfaces Through Adsorbate-induced Surface Electronic Structure Effects Surf. Sci. 2009, 603, 794-801 10.1016/j.susc.2009.01.021
33. Kang, J. H.; Menard, L. D.; Nuzzo, R. G.; Frenkel, A. I. Unusual Non-Bulk Properties in Nanoscale Materials: Thermal Metal-Metal Bond Contraction of Gamma-Alumina-supported Pt Catalysts J. Am. Chem. Soc. 2006, 128, 12068-12069 10.1021/ja064207p
34. Enkovaara, J.; Rostgaard, C.; Mortensen, J. J.; Chen, J.; Duak, M.; Ferrighi, L.; Gavnholt, J.; Glinsvad, C.; Haikola, V.; Hansen, H. A. et al. Electronic Structure Calculations with GPAW: a Real-space Implementation of the Projector Augmented-wave Method J. Phys.: Condens. Matter 2010, 22, 253202 10.1088/0953-8984/22/25/253202
35. Mortensen, J.; Hansen, L.; Jacobsen, K. Real-space Grid Implementation of the Projector Augmented Wave Method Phys. Rev. B: Condens. Matter Mater. Phys. 2005, 71, 1-11 10.1103/PhysRevB.71.035109
36. Blöchl, P. E.; Jepsen, O.; Andersen, O. K. Improved Tetrahedron Method for Brillouin-zone Integrations Phys. Rev. B: Condens. Matter Mater. Phys. 1994, 49, 16223 10.1103/PhysRevB.49.16223