Orthogonal interactions of CO molecules on a one-dimensional substrate

ACS Nano

Volumn 5, Issue 11, 2011, Pages 8877-8883

  Feng, Min ^a   Cabrera Sanfelix, Pepa ^b,d,e   Lin, Chungwei ^a   Arnau, Andres ^b,d,e   Sánchez Portal, Daniel ^b,d,e   Zhao, Jin ^c   Echenique, Pedro M ^b,d,e   Petek, Hrvoje ^a  

^a UNIVERSITY OF PITTSBURGH   (United States)

^b DONOSTIA INTERNATIONAL PHYSICS CENTER DIPC   (Spain)

^c UNIVERSITY OF SCIENCE AND TECHNOLOGY OF CHINA   (China)

^d CENTRO MIXTO CSIC UPV EHU   (Spain)

^e UNIVERSITY OF THE BASQUE COUNTRY UPV EHU   (Spain)

Author keywords

carbon oxide; Cu(110) (2 1) O surface; dipole dipole attraction; nanograting; self assembly; surface mediated repulsion

Indexed keywords

CARBON OXIDE; CO MOLECULE; CU ATOMS; CU(1 1 0); DIPOLE-DIPOLE; DIPOLE-DIPOLE ATTRACTION; FIRST-PRINCIPLES CALCULATION; GRATING STRUCTURES; INTERMOLECULAR INTERACTIONS; LOW-TEMPERATURE SCANNING TUNNELING MICROSCOPY; METAL SURFACES; MONOLAYER STRUCTURES; NANO-METER SCALE; NANOGRATING; ORTHOGONAL INTERACTIONS; QUASI-ONE-DIMENSIONAL; REPULSIVE INTERACTIONS; STABLE ADSORPTION; STRUCTURAL DISTORTIONS; SURFACE-MEDIATED REPULSION;

ADSORPTION; CALCULATIONS; CHEMISORPTION; COPPER; DENSITY FUNCTIONAL THEORY; MONOLAYERS; SCANNING TUNNELING MICROSCOPY; SELF ASSEMBLY; SUBSTRATES;

MOLECULES;

EID: 81855227286     PISSN: 19360851     EISSN: 1936086X     Source Type: Journal    
DOI: 10.1021/nn203041c     Document Type: Article

References (39)

1. Blyhoder, H. Molecular Orbital View of Chemisorbed Carbon Monoxide J. Phys. Chem. 1964, 68, 2772-2777
2. Eastman, D. E.; Cashion, J. K. Photoemission Energy-Level Measurements of Chemisorbed CO and O on Ni Phys. Rev. Lett. 1971, 27, 1520-1523
3. Greuter, F.; Heskett, D.; Plummer, E. W.; Freund, H. J. Chemisorption of CO on Co(0001): Structure and Electronic Properties Phys. Rev. B 1983, 27, 7117-7135
4. Hoffmann, R. A Chemical and Theoretical Way To Look at Bonding on Surfaces Rev. Mod. Phys. 1988, 60, 601-628
5. Hammer, B.; Morikawa, Y.; Nrskov, J. K. CO Chemisorption at Metal Surfaces and Overlayers Phys. Rev. Lett. 1996, 76, 2141-2144 (Pubitemid 126638951)
6. Föhlish, A.; Nebergy, M.; Bennich, P.; Triguero, L.; Hasselström, J.; Karis, O.; Pettersson, L. G. M.; Nilsson, A. The Bonding of CO to Metal Surfaces J. Chem. Phys. 2000, 112, 1946-1958
7. Wimmer, E.; Fu, C. L.; Freeman, A. J. Catalytic Promotion and Poisoning: All-Electron Local-Density-Functional Theory of CO on Ni(001) Surfaces Coadsorbed with K or S Phys. Rev. Lett. 1985, 55, 2618-2621
8. 2(110) Surf. Sci. 2000, 287, 1474-1476 (Pubitemid 30127138)
9. Kelkkanen, A. K.; Lundqvist, B. I.; Nrskov, J. K. van der Waals Effect in Weak Adsorption Affecting Trends in Adsorption, Reactivity, and the View of Substrate Nobility Phys. Rev. B 2011, 83, 113401-113404
10. Freund, H.-J. Model Studies in Heterogeneous Catalysis Chem.-Eur. J. 2010, 16, 9384-9397
11. Bagus, P. S.; Hermann, K.; Bauschlicher, C. W., Jr. On the Nature of the Bonding of Lone Pair Ligands to a Transition Metal J. Chem. Phys. 1984, 81, 1966-1974
12. Nilsson, A.; Pettersson, L. G. Chemical Bonding on Metal Surface. In Model Systems in Catalysis: Single Crystals to Supported Enzyme Mimics; Rioux, R. M., Ed.; Springer Verlag: New York, 2010; pp 253-274.
13. Kuhlenbeck, H.; Freund, H.-J. Adsorption on Metals. In Handbook of Surface Science; Horn, K.; Scheffler, M., Eds.; Elsevier: Amsterdam, 2000; Vol. 2, pp 670-747.
14. Ahner, J.; Mocuta, D.; Ramsier, R. D.; Yates, J. T., Jr. Adsorbate-Adsorbate Repulsions: The Coverage Dependence of the Adsorption Structure of CO on Cu(110) as Studied by Electron-Stimulated Desorption Ion Angular Distribution J. Chem. Phys. 1996, 105, 6553-6558
15. Kato, H.; Okuyama, H.; Ichihara, S.; Maki, K.; Yoshinobu, J. Lateral Interactions of CO in the (2 × 1)p2mg Structure on Pd(110): Force Constants between Tilted CO Molecules J. Chem. Phys. 2000, 112, 1925-1936
16. Schimka, L.; Harl, J.; Stroppa, A.; Grüneis, A.; Marsman, M.; Mittendorfer, F.; Kresse, G. Accurate Surface and Adsorption Energies from Many-Body Perturbation Theory Nat. Mater. 2010, 9, 741-744
17. Rejmak, P.; Sierka, M.; Saucer, J. Theoretical Studies of the Cu(I) Sites in Faujasite and Their Interaction with Carbon Monoxide Phys. Chem. Chem. Phys. 2007, 9, 5446-5456
18. + Sites in High-Silica Zeolites Interacting with the CO Molecule: Combined Computational and Experimental Study J. Phys. Chem. B 2003, 107, 2327-2332
19. Van Hove, M. A.; Somorjai, G. A. Adsorption and Adsorbate-Induced Restructuring: A LEED Perspective Surf. Sci. 1994, 299/300, 487-501
20. Zambelli, T.; Wintterlin, J.; Trost, J.; Ertl, G. Identification of the "Active Sites" of a Surface-Catalyzed Reaction Science 1996, 273, 1688-1690 (Pubitemid 26317779)
21. Vang, R. T.; Honkala, K.; Dahl, S.; Vestergaard, E. K.; Schnadt, J.; Laegsgaard, E.; Clausen, B. S.; Norskov, J. K.; Besenbacher, F. Controlling the Catalytic Bond-Breaking Selectivity of Ni Surfaces by Step Blocking Nat. Mater. 2005, 4, 160-162 (Pubitemid 40178717)
22. Yates, J. T., Jr. Surface Chemistry at Metallic Step Defect Sites J. Vac. Sci. Technol., A 1995, 13, 1359-1367
23. Vattuone, L.; Savioa, L.; Rocca, M. Bridging the Structure Gap: Chemistry of Nanostructured Surfaces at Well-Defined Defects Surf. Sci. Rep. 2008, 63, 101-168
24. Henderson, M. A.; Szabo, A.; Yates, J. T., Jr. Direct Observation of Adsorbate-Adsorbate Repulsions along a One-Dimensional Array: CO on the Steps of Pt(112) Chem. Phys. Lett. 1990, 168, 51-55
25. Thostrup, P.; Vestergaard, E. K.; Lgsgaard, E.; Besenbacher, F. CO-Induced Restructuring of Pt(110)-(1 × 2): Bridging the Pressure Gap with High-Pressure Scanning Tunneling Microscopy J. Chem. Phys. 2003, 118, 3724-3730
26. Corriol, C.; Hager, J.; Matzdorf, R.; Arnau, A. Surface Electronic Structure of O(2 × 1)/Cu(110): Role of the Surface State at the Zone Boundary-Point in STS Surf. Sci. 2001, 600, 4310-4314
27. Cortona, P.; Sapet, C. LCAO Study of the Cu(110)(2 × 1)O Surface Surf. Sci. 2005, 585, 155-162
28. Hager, J.; Matzdorf, R. Surface State Lifetime in Quasi-One-Dimensional Oxygen Stripes on Cu(110) Surf. Sci. 2006, 600, 2581-2586 (Pubitemid 43866851)
29. Stahrenberg, K.; Herrmann, T.; Esser, N.; Richter, W. Surface Optical Properties of Clean Cu(110) and Cu(110)-(2 × 1)-O Phys. Rev. B 2000, 61, 3043-3047
30. Tjeng, L. H.; Meinders, M. B. J.; Sawatzky, G. A. Relationship between Atomic and Electronic Structure of Clean and Oxygen Covered Copper (110) Surface Surf. Sci. 1990, 233, 163-183
31. Courths, R.; Cord, B.; Wern, H.; Saalfeld, H.; Hüfner, S. Dispersion of the Oxygen-Induced Bands on Cu (110): An Angle-Resolved UPS Study of the System p(2 × 1)O/Cu(110) Solid State Commun. 1987, 63, 619-623 (Pubitemid 18578710)
32. Berge, K.; Goldmann, A. Electronic Interchain Interactions of the Cu(110) (2 × 1) O Surface: An Angle-Resolved Photoemission Study Surf. Sci. 2003, 540, 97-106
33. Lorente, N.; Ueba, H. CO Dynamics Induced by Tunneling Electrons: Differences on Cu(110) and Ag(110) Eur. Phys. J. D 2005, 35, 341-348 (Pubitemid 41315007)
34. Pforte, F.; Gerlach, A.; Goldmann, A.; Matzdorf, R.; Braun, J.; Postnikov, A. Wave-Vector-Dependent Symmetry Analysis of a Photoemission Matrix Element: The Quasi-One-Dimensional Model System Cu(110)(2 × 1)O Phys. Rev. B 2001, 63, 165405
35. Nilsson, A.; Pettersson, L. G. M. Chemical Bonding on Surfaces Probed by X-ray Emission Spectroscopy and Density Functional Theory Surf. Sci. Rep. 2004, 55, 49-167
36. Gajdos, M.; Eichler, A.; Hafner, J. CO Adsorption on Close-Packed Transition and Noble Metal Surfaces: Trends from Ab Initio Calculations J. Phys.: Condens. Matter 2004, 16, 1141-1164
37. 60 Nanowires J. Am. Chem. Soc. 2007, 129, 12394-12395 (Pubitemid 47598229)
38. Kresse, G.; Furthmüller, J. Efficient Iterative Schemes for Ab Initio Total-Energy Calculations Using a Plane-Wave Basis Set Phys. Rev. B 1996, 54, 11169
39. Perdew, J. P.; Chevary, J. A.; Vosko, S. H.; Jackson, K. A.; Pederson, M. R.; Singh, D. J.; Fiolhais, C. Atoms, Molecules, Solids, and Surfaces: Applications of the Generalized Gradient Approximation for Exchange and Correlation Phys. Rev. B 1992, 46, 6671-6687