Adsorption of small molecules on silver clusters

Journal of Chemical Physics

Volumn 136, Issue 2, 2012, Pages

  Wu, Yu Ning ^a,b   Schmidt, Martin ^b   Leygnier, Jérôme ^b   Cheng, Hai Ping ^a,b   Masson, Albert ^b   Bréchignac, Catherine ^b  

^a University of Florida   (United States)

^b LABORATOIRE AIMÉ COTTON   (France)

Author keywords

[No Author keywords available]

Indexed keywords

3D TRANSITION; ADSORPTION ENERGIES; AG CLUSTERS; CO-ADSORPTION; FIRST-PRINCIPLES CALCULATION; GENERALIZED GRADIENT APPROXIMATIONS; NEUTRAL CLUSTERS; PHYSISORBED MOLECULES; REFINED STRUCTURES; SILVER CLUSTER; SMALL MOLECULES;

CALCULATIONS; CHARGE TRANSFER; DENSITY FUNCTIONAL THEORY; DROPS; EXPERIMENTS; MOLECULES; OXYGEN; PHYSISORPTION; POSITIVE IONS; THREE DIMENSIONAL;

GAS ADSORPTION;

NITROGEN; OXYGEN; SILVER;

ADSORPTION; ARTICLE; CHEMISTRY; QUANTUM THEORY; SURFACE PROPERTY;

ADSORPTION; NITROGEN; OXYGEN; QUANTUM THEORY; SILVER; SURFACE PROPERTIES;

EID: 84855929675     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.3673616     Document Type: Article

References (48)

1. Proceedings of the International Symposium on the Physics and Chemistry of Small Clusters, edited by, P. Jena, (Wiley, New York, 1987).
2. Engineering a small world: From atomic manipulation to microfabrication, Science 254, 1277 (1991) (special issue).
3. Special issue on Clusters, Science 271, 925 (1996). 10.1126/science.271. 5251.925
4. G. C. Bond and D. T. Thompson, Catal. Rev. -Sci. Eng. 41 (3-4), 319 (1999). 10.1081/CR-100101171
5. M. Mavrikakis, P. Stoltze, and J. K. Norskov, Catal. Lett. 64 (2-4), 101 (2000). 10.1023/A:1019028229377
6. F. Esch, S. Fabris, L. Zhou, T. Montini, C. Africh, P. Fornasiero, G. Comelli, and R. Rosei, Science 309 (5735), 752 (2005). 10.1126/science.1111568 (Pubitemid 41077317)
7. B. Hammer, Top. Catal. 37 (1), 3 (2006). 10.1007/s11244-006-0004-y
8. L. M. Molina, S. Lee, K. Sell, G. Barcaro, A. Fortunelli, B. Lee, S. Seifert, R. E. Winans, J. W. Elam, M. J. Pellin, I. Barke, V. von Oeynhausen, Y. Lei, R. J. Meyer, J. A. Alonso, A. F. Rodriguez, A. Kleibert, S. Giorgio, C. R. Henry, K. H. Meiwes-Broer, and S. Vajda, Catal. Today 160 (1), 116 (2011). 10.1016/j.cattod.2010.08.022
9. M. Mantina, R. Valero, and D. G. Truhlar, J. Chem. Phys. 131 (6), 064706 (2009). 10.1063/1.3190492
10. A. Sanchez, S. Abbet, U. Heiz, W. D. Schneider, H. Hakkinen, R. N. Barnett, and U. Landman, J. Phys. Chem. A 103 (48), 9573 (1999). 10.1021/jp9935992
11. M. Schmidt, P. Cahuzac, C. Brechignac, and H. P. Cheng, J. Chem. Phys. 118 (24), 10956 (2003). 10.1063/1.1575738
12. G. M. Koretsky and M. B. Knickelbein, J. Chem. Phys. 107 (24), 10555 (1997). 10.1063/1.474219
13. M. Schmidt, A. Masson, and C. Brechignac, Phys. Rev. Lett. 91 (24), 243401 (2003). 10.1103/PhysRevLett.91.243401
14. T. M. Bernhardt, Int. J. Mass Spectrom. 243 (1), 1 (2005). 10.1016/j.ijms.2004.12.015 (Pubitemid 40500390)
15. M. Schmidt, A. Masson, and C. Brechignac, J. Chem. Phys. 122 (13), 134712 (2005). 10.1063/1.1871892 (Pubitemid 41237248)
16. S. M. Lang and T. M. Bernhardt, J. Chem. Phys. 131 (2), 024310 (2009). 10.1063/1.3168396
17. M. Andersson and A. Rosen, J. Phys. Condens. Matter 22 (33), 334223 (2010). 10.1088/0953-8984/22/33/334223
18. S. A. Varganov, R. M. Olson, M. S. Gordon, and H. Metiu, J. Chem. Phys. 119 (5), 2531 (2003). 10.1063/1.1587115
19. M. B. Torres, E. M. Fernandez, and L. C. Balbas, J. Phys. Chem. A 112 (29), 6678 (2008). 10.1021/jp800247n
20. T. Davran-Candan, M. E. Gunay, and R. Yildirim, J. Chem. Phys. 132 (17), 174113 (2010). 10.1063/1.3369007
21. L. D. Socaciu, J. Hagen, T. M. Bernhardt, L. Woste, U. Heiz, H. Hakkinen, and U. Landman, J. Am. Chem. Soc. 125 (34), 10437 (2003). 10.1021/ja027926m (Pubitemid 37022253)
22. B. Yoon, H. Hakkinen, U. Landman, A. S. Worz, J. M. Antonietti, S. Abbet, K. Judai, and U. Heiz, Science 307 (5708), 403 (2005). 10.1126/science.1104168 (Pubitemid 40139980)
23. H. J. Xiang, S. H. Wei, and X. G. Gong, J. Am. Chem. Soc. 132 (21), 7355 (2010). 10.1021/ja9108374
24. P. Weis, T. Bierweiler, S. Gilb, and M. M. Kappes, Chem. Phys. Lett. 355 (3-4), 355 (2002). 10.1016/S0009-2614(02)00277-4
25. W. Kohn and L. J. Sham, Phys. Rev. 140 (4A), 1133 (1965). 10.1103/PhysRev.140.A1133
26. J. P. Perdew, K. Burke, and M. Ernzerhof, Phys. Rev. Lett. 77 (18), 3865 (1996). 10.1103/PhysRevLett.77.3865
27. E. M. Fernandez, J. M. Soler, I. L. Garzon, and L. C. Balbas, Phys. Rev. B 70 (16), 165403 (2004). 10.1103/PhysRevB.70.165403 (Pubitemid 40100495)
28. F. Baletto and R. Ferrando, Rev. Mod. Phys. 77 (1), 371 (2005). 10.1103/RevModPhys.77.371 (Pubitemid 41490661)
29. P. A. Buffat, M. Flueli, R. Spycher, P. Stadelmann, and J. P. Borel, Faraday Discuss. 92, 173 (1991). 10.1039/fd9919200173
30. T. Ebata, A. Fujii, and N. Mikami, Int. Rev. Phys. Chem. 17 (3), 331 (1998). 10.1080/014423598230081
31. D. E. Clemmer and M. F. Jarrold, J. Mass Spectrom. 32 (6), 577 (1997). 10.1002/(SICI)1096-9888(199706)32:6577::AID-JMS5303.0.CO;2-4
32. T. P. Martin, Phys Rep. 273 (4), 199 (1996). 10.1016/0370-1573(95)00083-6 (Pubitemid 126162322)
33. E. K. Parks, B. H. Weiller, P. S. Bechthold, W. F. Hoffman, G. C. Nieman, L. G. Pobo, and S. J. Riley, J. Chem. Phys. 88 (3), 1622 (1988). 10.1063/1.454141
34. E. K. Parks, L. Zhu, J. Ho, and S. J. Riley, J. Chem. Phys. 100 (10), 7206 (1994). 10.1063/1.466868
35. E. K. Parks, K. P. Kerns, and S. J. Riley, Chem. Phys. 262 (1), 151 (2000). 10.1016/S0301-0104(00)00141-5
36. S. J. Riley, J. NonCryst. Solids 205, 781 (1996). 10.1016/S0022-3093(96) 00307-9 (Pubitemid 126362361)
37. J. L. F. Da Silva, C. Stampfl, and M. Scheffler, Phys. Rev. Lett. 90 (6), 066104 (2003). 10.1103/PhysRevLett.90.066104
38. P. E. Blöchl, Phys. Rev. B 50 (24), 17953 (1994). 10.1103/PhysRevB.50.17953
39. G. Kresse and J. Furthmuller, Comput. Mater. Sci. 6 (1), 15 (1996). 10.1016/0927-0256(96)00008-0 (Pubitemid 126412269)
40. G. Kresse and J. Furthmuller, Phys. Rev. B 54 (16), 11169 (1996). 10.1103/PhysRevB.54.11169
41. G. Kresse and D. Joubert, Phys. Rev. B 59 (3), 1758 (1999). 10.1103/PhysRevB.59.1758
42. J. Heyd, G. E. Scuseria, and M. Ernzerhof, J. Chem. Phys. 118 (18), 8207 (2003). 10.1063/1.1564060
43. G. Makov and M. C. Payne, Phys. Rev. B 51 (7), 4014 (1995). 10.1103/PhysRevB.51.4014
44. R. F. W. Bader, Atoms in Molecules: A Quantum Theory (Clarendon, Oxford; New York, 1990).
45. S. Klacar, A. Hellman, I. Panas, and H. Gronbeck, J. Phys. Chem. C 114 (29), 12610 (2010). 10.1021/jp102715r
46. H. P. Loock, L. M. Beaty, and B. Simard, Phys. Rev. A 59 (1), 873 (1999). 10.1103/PhysRevA.59.873
47. D. Schooss, S. Gilb, J. Kaller, M. M. Kappes, F. Furche, A. Kohn, K. May, and R. Ahlrichs, J. Chem. Phys. 113 (13), 5361 (2000). 10.1063/1.1290028
48. S. Haupt, J. Kaller, D. Schooss, D. Cameron, and M. M. Kappes, Z. Phys. D: At, Mol. Clusters 40 (1-4), 331 (1997). 10.1007/s004600050220