Electronic structure of [121]tetramantane-6-thiol on gold and silver surfaces

Journal of Chemical Physics

Volumn 130, Issue 5, 2009, Pages

  Zhang, Wenhua ^a,b,c   Gao, Bin ^a,d   Yang, Jinlong ^a   Wu, Ziyu ^d   Carravetta, Vincenzo ^c   Luo, Yi ^a,b  

^a ROYAL INSTITUTE OF TECHNOLOGY   (Sweden)

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

^c CNR   (Italy)

^d INSTITUTE OF HIGH ENERGY PHYSICS   (China)

Author keywords

[No Author keywords available]

Indexed keywords

CHEMICAL BONDS; DENSITY FUNCTIONAL THEORY; ELECTRONIC STRUCTURE; ELECTRONS; MOLECULAR MODELING; MOLECULAR ORBITALS; MOLECULES; PHOTOELECTRICITY; PHOTOEMISSION; PRECIOUS METALS; PROGRAMMING THEORY; SILVER;

CHEMICAL BONDINGS; DENSITY FUNCTIONAL THEORY CALCULATIONS; ELECTRON PHOTOEMISSIONS; FINAL-STATE EFFECTS; FUNCTIONALIZED COMPOUNDS; GOLD AND SILVERS; LOWEST UN-OCCUPIED MOLECULAR ORBITALS; METAL SURFACES; NEGATIVE ELECTRON AFFINITIES; NOBLE METALS; SINGLY OCCUPIED MOLECULAR ORBITALS; VACUUM LEVELS;

ELECTRON AFFINITY;

EID: 59949095835     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.3072334     Document Type: Article

References (22)

1. J. van der Weide and R. J. Nemanich, Appl. Phys. Lett. 0003-6951 10.1063/1.109639 62, 1878 (1993).
2. M. J. Rutter and J. Robertson, Phys. Rev. B 0163-1829 10.1103/PhysRevB.57.9241 57, 9241 (1998).
3. W. L. Yang, J. D. Fabbri, T. M. Willey, J. R. I. Lee, J. E. Dahl, R. M. K. Carlson, P. R. Schreiner, A. A. Fokin, B. A. Tkachenko, N. A. Fokina, W. Meevasana, N. Mannella, K. Tanaka, X. J. Zhou, T. van Buuren, M. A. Kelly, Z. Hussain, N. A. Melosh, and Z. X. Shen, Science 0036-8075 10.1126/science.1141811 316, 1460 (2007).
4. N. D. Drummond, Nature (London) 2, 462 (2007). 0028-0836
5. N. D. Drummond, A. J. Williamson, R. J. Needs, and G. Galli, Phys. Rev. Lett. 0031-9007 10.1103/PhysRevLett.95.096801 95, 096801 (2005).
6. Z. Zhang, M. Wensell, and J. Bernholc, Phys. Rev. B 0163-1829 10.1103/PhysRevB.51.5291 51, 5291 (1995).
7. B. B. Pate, Surf. Sci. 0039-6028 10.1016/0039-6028(86)90665-5 165, 83 (1986).
8. The Physics of Diamond, Proceedings of the International School of Physics Enrico Fermi, edited by, A. Paoletti, and, A. Tucciarone, (IOS, Amsterdam, 1997).
9. F. J. Himpsel, J. A. Knapp, J. A. VanVechten, and D. E. Eastman, Phys. Rev. B 0163-1829 10.1103/PhysRevB.20.624 20, 624 (1979).
10. B. A. Tkachenko, N. A. Fokina, L. V. Chernish, J. E. P. Dahl, S. G. Liu, R. M. K. Carlson, A. A. Fokin, and P. R. Schreiner, Org. Lett. 1523-7060 10.1021/ol053136g 8, 1767 (2006).
11. A. A. Fokin, P. R. Schreiner, N. A. Fokina, B. A. Tkachenko, H. Hausmann, M. Serafin, J. E. P. Dahl, S. G. Liu, and R. M. K. Carlson, J. Org. Chem. 0022-3263 10.1021/jo061561x 71, 8532 (2006).
12. Y. Wang, E. Kioupakis, X. Lu, D. Wegner, R. Yamachika, J. E. Dahl, R. M. K. Carlson, S. G. Louie, and M. F. Crommie, Nature Mater. 1476-1122 10.1038/nmat2066 7, 38 (2008).
13. G. Kresse and J. Halner, Phys. Rev. B 0163-1829 10.1103/PhysRevB.47.558 47, 558 (1993).
14. G. Kresse and J. Halner, Phys. Rev. B 0163-1829 10.1103/PhysRevB.48.13115 48, 13115 (1993).
15. G. Kresse and J. Halner, Phys. Rev. B 0163-1829 10.1103/PhysRevB.49.14251 49, 14251 (1994).
16. G. Kresse and J. Joubert, Phys. Rev. B 0163-1829 10.1103/PhysRevB.59.1758 59, 1758 (1999).
17. J. P. Perdew, K. Burke, and M. Ernzerhof, Phys. Rev. Lett. 0031-9007 10.1103/PhysRevLett.77.3865 77, 3865 (1996).
18. P. E. Blochl, Phys. Rev. B 0163-1829 10.1103/PhysRevB.50.17953 50, 17953 (1994).
19. M. J. Frisch, G. W. Trucks, H. B. Schlegel, GAUSSIAN 03, Revision D.01, Gaussian, Inc., Wallingford, CT, 2004.
20. W. H. Zhang, V. Carravetta, J. L. Yang, and Y. Luo, " Effects of contact roughness on electron transport in molecular junctions.," J. Chem. Phys. (to be published). 0163-1829
21. R. B. Pontes, F. D. Novaes, A. Fazzio, and A. J. R. da Silva, J. Am. Chem. Soc. 128, 8996 (2006).
22. W. A. Clay, Z. Liu, W. Yang, J. D. Fabbri, J. E. Dahl, R. M. K. Carlson, Y. Sun, P. A. Pianetta, N. Melosh, and Z. Shen, Nano Lett. 9, 57 (2009).