Predicting the adsorption behavior in bulk from metal clusters

Chemical Physics Letters

Volumn 518, Issue , 2011, Pages 99-103

  Mpourmpakis, Giannis ^a,b   Stamatakis, Michail ^a   Herrmann, Stanley ^a   Vlachos, Dionisios G ^a   Andriotis, Antonis N ^b  

^a University of Delaware   (United States)

^b INSTITUTE OF ELECTRONIC STRUCTURE AND LASER   (Greece)

Author keywords

[No Author keywords available]

Indexed keywords

ADSORPTION BEHAVIOR; BULK METALS; CATALYTIC BEHAVIOR; CLUSTER MODELS; DIFFERENT LENGTH SCALE; LENGTH SCALE; MATHEMATICAL MODELING; METAL CLUSTER; PHYSICOCHEMICAL PROPERTY; QUANTUM-MECHANICAL CALCULATION; RESEARCH GOALS; STRUCTURE INFORMATION; THEORETICAL FRAMEWORK;

ADSORPTION; BINDING ENERGY; BIOMATERIALS; ELECTRONIC STRUCTURE; METALLURGY; QUANTUM THEORY;

MATERIALS PROPERTIES;

EID: 82555168186     PISSN: 00092614     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.cplett.2011.11.004     Document Type: Article

References (22)

1. J.G. Chen, C.A. Menning, and M.B. Zellner Surf. Sci. Rep. 63 2008 201
2. J. Greeley, T.F. Jaramillo, J. Bonde, I.B. Chorkendorff, and J.K. Norskov Nat. Mater. 5 2006 909
3. J. Greeley, and M. Mavrikakis Nat. Mater. 3 2004 810
4. D.A. Hansgen, D.G. Vlachos, and J.G.G. Chen Nat. Chem. 2 2010 484
5. G. Mpourmpakis, A.N. Andriotis, and D.G. Vlachos Nano Lett. 10 2010 1041
6. B. Hammer, and J.K. Norskov Nature 376 1995 238
7. B. Hvolbaek, T.V.W. Janssens, B.S. Clausen, H. Falsig, C.H. Christensen, and J.K. Norskov Nano Today 2 2007 14
8. M. Valden, X. Lai, and D.W. Goodman Science 281 1998 1647
9. K. Honkala Science 307 2005 555
10. B. Hammer, Y. Morikawa, and J.K. Norskov Phys. Rev. Lett. 76 1996 2141
11. B. Hammer, and J.K. Norskov Surf. Sci. 343 1995 211
12. M. Mavrikakis, B. Hammer, and J.K. Norskov Phys. Rev. Lett. 81 1998 2819
13. J.R. Kitchin, J.K. Norskov, M.A. Barteau, and J.G. Chen Phys. Rev. Lett. 93 2004
14. M. Mavrikakis Nat. Mater. 5 2006 847
15. G.S. Painter Phys. Rev. Lett. 70 1993 3959
16. I. Panas, J. Schule, P. Siegbahn, and U. Wahlgren Chem. Phys. Lett. 149 1988 265
17. G.W.T.M. J. Frisch, Gaussian 03, in, Gaussian, Inc., Wallingf.
18. A.A. Phatak, W.N. Delgass, F.H. Ribeiro, and W.F. Schneider J. Phys. Chem. C 113 2009 7269
19. E. Economou Greens Functions in Quantum Physics 1983 Springer-Verlag Heidelberg
20. H. Xin, and S. Linic J. Chem. Phys. 132 2010 221101
21. F. Abild-Pedersen Phys. Rev. Lett. 99 2007 016105
22. L. Pauling J. Am. Chem. Soc. 54 1932 3570