Hydrogen welding and hydrogen switches in a monatomic gold nanowire

Nano Letters

Volumn 4, Issue 10, 2004, Pages 1845-1852

  Barnett, Robert N ^a   Häkkinen, Hannu ^a,b   Scherbakov, Andrew G ^a   Landman, Uzi ^a  

^a GEORGIA INSTITUTE OF TECHNOLOGY   (United States)

^b UNIVERSITY OF JYVÄSKYLÄ   (Finland)

Author keywords

[No Author keywords available]

Indexed keywords

CHARGE TRANSFER; ELECTRIC CONDUCTANCE; GOLD; HYDROGEN; PROBABILITY DENSITY FUNCTION; WELDING;

GOLD NANOWIRES; HYDROGEN SWITCHES; HYDROGEN WELDING; STRUCTURAL CONFIGURATIONS;

NANOSTRUCTURED MATERIALS;

GOLD; HYDROGEN;

AB INITIO CALCULATION; ADSORPTION; ARTICLE; ATOM; CHEMICAL INTERACTION; CHEMICAL STRUCTURE; DENSITY FUNCTIONAL THEORY; DISSOCIATION; ELECTRIC CONDUCTIVITY; ELECTRICITY; ELECTRON TRANSPORT; ELECTRONICS; FORCE; MOLECULE; NANOTECHNOLOGY; VIBRATION;

EID: 7544240546     PISSN: 15306984     EISSN: None     Source Type: Journal    
DOI: 10.1021/nl049054n     Document Type: Article

References (33)

1. Landman, U.; Luedtke, W. D.; Burnham, W. A.; Colton, R. J. Science 1990, 248, 454.
2. See review in: Agrait, N.; Yeyati, A. L.; van Ruitenbeek, J. M. Phys. Rep. 2003, 377, 8103.
3. Barnett, R. N.; Landman, U. Nature 1997, 387, 788.
4. Ohnishi, H.; Kondo, Y.; Takayanagi, K. Nature 1998, 395, 780.
5. Yanson, A. I.; Rubio Bollinger, G.; van der Brom, H. E.; Agrait, N.; van Ruitenbeek, J. M. Nature 1998, 395, 783.
6. Rodrigues, V.; Ugarte, D. Phys. Rev. B 2001, 63, 073405.
7. Torres, J. A.; Tosatti, E.; Dal Corso, A.; Ercolessi, F.; Kohanoff, J. J.; Di Tolla, F. D.; Soler, J. M. Surf. Sci. 1999, 426, L441.
8. Okamoto, M.; Takayanagi, K. Phys. Rev. B 1999, 60, 7808.
9. Sanchez-Portal, D.; Artacho, E.; Junquera, J.; Ordejon, P.; Carcia, A.; Soler, J. M. Phys. Rev. Lett. 1999, 83, 3884.
10. Häkkinen, H.; Barnett, R. N.; Scherbakov, A.; Landman, U. J. Phys. Chem. B 1999, 103, 8814.
11. De Maria, L.; Springborg, M. Chem. Phys. Lett. 2000, 323, 293.
12. Häkkinen, H.; Barnett, R. N.; Scherbakov, A.; Landman, U. J. Phys. Chem. B 2000, 104, 9063.
13. Sanchez, A.; Abbet, S.; Heiz, A. U.; Schneider, W.-D.; Hakkinen, H.; Barnett, R. N.; Landman, U. J. Phys. Chem. A 1999, 103, 9573.
14. Häkkinen, H.; Abbet, S.; Sanchez, A.; Heiz, U.; Landman, U. Ang. Chem., Int. Ed. 2003, 42, 1297, and references therein.
15. Häkkinen, H.; Moseler, M.; Landman, U. Phys. Rev. Lett. 2002, 89, 033401.
16. Li, C. Z.; Sha, H.; Tao, N. J. Phys. Rev. 1998, 58, 6775.
17. Li, C. Z.; He, X.; Bogozi, A.; Bunch, J. S.; Tao, N. J. Appl. Phys. Lett. 2000, 76, 1333.
18. Bogozi, A.; Lam, O.; He, X.; Li, C. Z.; Tao, N. J.; Nagahara, L. A.; Amlani, I.; Tsui, R. J. Am. Chem. Soc. 2001, 123, 4585.
19. Legoas, S. B.; Galvao, D. S.; Rodrigues, V.; Ugarte, D. Phys. Rev. Lett. 2002, 88, 076195.
20. Novaes, F. D.; da Silva, A. D. R.; da Silva, E. Z.; Fazzio, A. Phys. Rev. Lett. 2003, 90, 036101.
21. Skorodumova, N. V.; Simak, S. I. Phys. Rev. B 2003, 67, 121404.
22. (a) Smit, R. H. M.; Noat, Y.; Untiedt, C.; Lang, N. D.; van Hemert, M.; van Ruitenbeek, J. M. Nature 2002, 419, 906.
23. (b) Smit, R. H. M., Ph.D. Thesis, University of Leiden, The Netherlands, 2003. In these experiments the interaction of a hydrogen mo lecule with a Pt monatomic-wide nanowire has been studied. In addition to the vibrational frequency with hω = 64 meV that is reported in (a) and attributed to shuttle motion of a bridging hydrogen molecule, a frequency above 100 meV is mentioned in (b), see section 4.6, and is attributed to a hindered rotational mode of the molecule. While the conducting electron may couple differently to various vibrational modes, both longitudinal (along the axis of the wire) and transverse modes may be measured. We also note that as stated in (a) high-energy vibrations could not be measured since the contact becomes unstable at bias voltages above 200 meV.
24. 0; see also Figure 2(iii)). The low temperature in these experiments may make some of the stable configurations in our current investigation inaccessible (particularly those where a chemical rather than a physical interaction occurs), and thus differences between the measured and calculated conductances are to be expected.
25. Garcia, Y.; Palacios, J. J.; SanFabian, E.; Verges, A.; Perez-Jimenez, A. J.; Louis, E. Phys. Rev. B 2004, 69, 41402.
26. Barnett, R. N.; Landman, U. Phys. Rev. B 1993, 48, 2081.
27. Perdew, J.; Burk, K.; Ernzerhofm, M. Phys. Rev. Lett. 1996, 77, 3865.
28. Troullier, N.; Martins, J. L. Phys. Rev. B 1991, 43, 1993.
29. Hirose, K.; Tsukuda, M. Phys. Rev. B 1995, 51, 5278.
30. For evaluation of the self-consistent potential used in the transfermatrix calculation, s-local components of the Au and H atoms were used and the Kohn-Sham electronic structure was recalculated.
31. Nakamura, A.; Brandbyge, M.; Hansen, L. B.; Jacobsen, K. W. Phys. Rev. Lett. 1999, 82, 1538.
32. Brandbyge, M.; Sorensen, M. R.; Jacobsen, K. W. Phys. Rev. B 1997, 56, 14956.
33. Lian, L.; Hachet, P.; Rayner, D. M. J. Chem. Phys. 1993, 99, 2.