publication . Part of book or chapter of book . 2010

Computational Tools to Study and Predict the Long-Term Stability of Nanowires.

Michoff, Martin E. Zoloff; Vélez, Patricio; Dassie, Sergio A.; Leiva, Ezequiel P. M.;
Open Access English
  • Published: 01 Feb 2010
  • Publisher: InTech
Abstract
A comprehensive revision of the most recent advances with respect to the experimental techniques and computational simulations focused on the stability and mechanical properties of monatomic metallic and single molecule nanowires is presented. We have established a simple model based on the Transition State Theory and using the Minimum Energy Path to study the long-term stability of nanowires in a time scale corresponding to that of the experimental observations. The utility of this model has been demonstrated for the quantitative evaluation of the effect of impurities in gold nanowires, as well as for a qualitative assessment of the effect exerted by a change i...
Subjects
arXiv: Condensed Matter::Mesoscopic Systems and Quantum Hall Effect
Download from
InTech
Part of book or chapter of book . 2010
Provider: InTech
131 references, page 1 of 9

Vélez, P.; Dassie, S. A.; Leiva, E. P. M. Chem. Phys. Lett., Vol. 460, No.1-3, 261-265, 2008 with permission from Elsevier.

Amorim, E. P. M.; da Silva, A. J. R. & da Silva, E. Z. (2008). Computer Simulations of Copper and Gold Nanowires and Single-wall Nanowires, J. Phys. Chem. C, Vol. 112, No.39, 15241-15246, ISSN: 1932-7447.

Amorim, E. P. M.; da Silva, A. J. R.; Fazzio, A. & da Silva, E. Z. (2007). Short linear atomic chains in copper nanowires, Nanotechnology, Vol. 18, No.14, 145701, ISSN: 0957- 4484.

Anglada, E.; Torres, J. A.; Yndurain, F. & Soler, J. M. (2007). Formation of Gold Nanowires with Impurities: A First-Principles Molecular Dynamics Simulation, Phys. Rev. Lett., Vol. 98, No.9, 096102-096104, ISSN: 0031-9007.

Auletta, T.; de Jong, M. R.; Mulder, A.; van Veggel, F. C. J. M.; Huskens, J.; Reinhoudt, D. N.; Zou, S.; Zapotoczny, S.; Schönherr, H.; Vancso, G. J. & Kuipers, L. (2004). β- Cyclodextrin Host−Guest Complexes Probed under Thermodynamic Equilibrium: Thermodynamics and AFM Force Spectroscopy, J. Am. Chem. Soc., Vol. 126, No.5, 1577-1584, ISSN: 0002-7863.

Bahn, S. R.; Lopez, N.; Nørskov, J. K. & Jacobsen, K. W. (2002). Adsorption-induced restructuring of gold nanochains, Phys. Rev. B, Vol. 66, No.8, 081405 (pp 1-4), ISSN: 1098-0121.

Bahn, S. R. & Jacobsen, K. W. (2001). Chain Formation of Metal Atoms, Phys. Rev. Lett., Vol. 87, No.26, 266101-1-266101-4, ISSN: 0031-9007.

Baskes, M. I.; Nelson, J. S. & Wright, A. F. (1989). Semiempirical modified embedded-atom potentials for silicon and germanium, Phys. Rev. B, Vol. 40, No.9, 6085-6100, ISSN: 1098-0121. [OpenAIRE]

Batista, R. J. C.; Ordejon, P.; Chacham, H. & Artacho, E. (2007). Resistive and rectifying effects of pulling gold atoms at thiol-gold nanocontacts, Phys. Rev. B, Vol. 75, No.4, 041402-041404, ISSN: 1098-0121. [OpenAIRE]

Beebe, J. M.; Engelkes, V. B.; Miller, L. L. & Frisbie, C. D. (2002). Contact Resistance in MetalMolecule-Metal Junctions Based on Aliphatic SAMs: Effects of Surface Linker and Metal Work Function, J. Am. Chem. Soc., Vol. 124, No.38, 11268-11269, ISSN: 0002- 7863. [OpenAIRE]

Bettini, J.; Sato, F.; Coura, P. Z.; Dantas, S. O.; Galvão, D. S. & Ugarte, D. (2006). Experimental realization of suspended atomic chains composed of different atomic species, Nat Nano, Vol. 1, No.3, 182-185, ISSN: 1748-3387. [OpenAIRE]

Bonacic-Koutecky, V.; Burda, J.; Mitric, R.; Ge, M.; Zampella, G. & Fantucci, P. (2002). Density functional study of structural and electronic properties of bimetallic silver-- gold clusters: Comparison with pure gold and silver clusters, J. Chem. Phys., Vol. 117, No.7, 3120-3131, ISSN: 0021-9606. [OpenAIRE]

Bürki, J.; Stafford, C. A. & Stein, D. L. (2005). Theory of Metastability in Simple Metal Nanowires, Phys. Rev. Lett., Vol. 95, No.9, 090601, ISSN: 0031-9007. [OpenAIRE]

Chen, F.; Li, X.; Hihath, J.; Huang, Z. & Tao, N. (2006). Effect of Anchoring Groups on Single-Molecule Conductance: Comparative Study of Thiol-, Amine-, and Carboxylic-Acid-Terminated Molecules, J. Am. Chem. Soc., Vol. 128, No.49, 15874- 15881, ISSN: 0002-7863.

Cui, X. D.; Primak, A.; Zarate, X.; Tomfohr, J.; Sankey, O. F.; Moore, A. L.; Moore, T. A.; Gust, D.; Harris, G. & Lindsay, S. M. (2001). Reproducible Measurement of SingleMolecule Conductivity, Science, Vol. 294, No.5542, 571-574, ISSN: 0036-8075.

131 references, page 1 of 9
Abstract
A comprehensive revision of the most recent advances with respect to the experimental techniques and computational simulations focused on the stability and mechanical properties of monatomic metallic and single molecule nanowires is presented. We have established a simple model based on the Transition State Theory and using the Minimum Energy Path to study the long-term stability of nanowires in a time scale corresponding to that of the experimental observations. The utility of this model has been demonstrated for the quantitative evaluation of the effect of impurities in gold nanowires, as well as for a qualitative assessment of the effect exerted by a change i...
Subjects
arXiv: Condensed Matter::Mesoscopic Systems and Quantum Hall Effect
Download from
InTech
Part of book or chapter of book . 2010
Provider: InTech
131 references, page 1 of 9

Vélez, P.; Dassie, S. A.; Leiva, E. P. M. Chem. Phys. Lett., Vol. 460, No.1-3, 261-265, 2008 with permission from Elsevier.

Amorim, E. P. M.; da Silva, A. J. R. & da Silva, E. Z. (2008). Computer Simulations of Copper and Gold Nanowires and Single-wall Nanowires, J. Phys. Chem. C, Vol. 112, No.39, 15241-15246, ISSN: 1932-7447.

Amorim, E. P. M.; da Silva, A. J. R.; Fazzio, A. & da Silva, E. Z. (2007). Short linear atomic chains in copper nanowires, Nanotechnology, Vol. 18, No.14, 145701, ISSN: 0957- 4484.

Anglada, E.; Torres, J. A.; Yndurain, F. & Soler, J. M. (2007). Formation of Gold Nanowires with Impurities: A First-Principles Molecular Dynamics Simulation, Phys. Rev. Lett., Vol. 98, No.9, 096102-096104, ISSN: 0031-9007.

Auletta, T.; de Jong, M. R.; Mulder, A.; van Veggel, F. C. J. M.; Huskens, J.; Reinhoudt, D. N.; Zou, S.; Zapotoczny, S.; Schönherr, H.; Vancso, G. J. & Kuipers, L. (2004). β- Cyclodextrin Host−Guest Complexes Probed under Thermodynamic Equilibrium: Thermodynamics and AFM Force Spectroscopy, J. Am. Chem. Soc., Vol. 126, No.5, 1577-1584, ISSN: 0002-7863.

Bahn, S. R.; Lopez, N.; Nørskov, J. K. & Jacobsen, K. W. (2002). Adsorption-induced restructuring of gold nanochains, Phys. Rev. B, Vol. 66, No.8, 081405 (pp 1-4), ISSN: 1098-0121.

Bahn, S. R. & Jacobsen, K. W. (2001). Chain Formation of Metal Atoms, Phys. Rev. Lett., Vol. 87, No.26, 266101-1-266101-4, ISSN: 0031-9007.

Baskes, M. I.; Nelson, J. S. & Wright, A. F. (1989). Semiempirical modified embedded-atom potentials for silicon and germanium, Phys. Rev. B, Vol. 40, No.9, 6085-6100, ISSN: 1098-0121. [OpenAIRE]

Batista, R. J. C.; Ordejon, P.; Chacham, H. & Artacho, E. (2007). Resistive and rectifying effects of pulling gold atoms at thiol-gold nanocontacts, Phys. Rev. B, Vol. 75, No.4, 041402-041404, ISSN: 1098-0121. [OpenAIRE]

Beebe, J. M.; Engelkes, V. B.; Miller, L. L. & Frisbie, C. D. (2002). Contact Resistance in MetalMolecule-Metal Junctions Based on Aliphatic SAMs: Effects of Surface Linker and Metal Work Function, J. Am. Chem. Soc., Vol. 124, No.38, 11268-11269, ISSN: 0002- 7863. [OpenAIRE]

Bettini, J.; Sato, F.; Coura, P. Z.; Dantas, S. O.; Galvão, D. S. & Ugarte, D. (2006). Experimental realization of suspended atomic chains composed of different atomic species, Nat Nano, Vol. 1, No.3, 182-185, ISSN: 1748-3387. [OpenAIRE]

Bonacic-Koutecky, V.; Burda, J.; Mitric, R.; Ge, M.; Zampella, G. & Fantucci, P. (2002). Density functional study of structural and electronic properties of bimetallic silver-- gold clusters: Comparison with pure gold and silver clusters, J. Chem. Phys., Vol. 117, No.7, 3120-3131, ISSN: 0021-9606. [OpenAIRE]

Bürki, J.; Stafford, C. A. & Stein, D. L. (2005). Theory of Metastability in Simple Metal Nanowires, Phys. Rev. Lett., Vol. 95, No.9, 090601, ISSN: 0031-9007. [OpenAIRE]

Chen, F.; Li, X.; Hihath, J.; Huang, Z. & Tao, N. (2006). Effect of Anchoring Groups on Single-Molecule Conductance: Comparative Study of Thiol-, Amine-, and Carboxylic-Acid-Terminated Molecules, J. Am. Chem. Soc., Vol. 128, No.49, 15874- 15881, ISSN: 0002-7863.

Cui, X. D.; Primak, A.; Zarate, X.; Tomfohr, J.; Sankey, O. F.; Moore, A. L.; Moore, T. A.; Gust, D.; Harris, G. & Lindsay, S. M. (2001). Reproducible Measurement of SingleMolecule Conductivity, Science, Vol. 294, No.5542, 571-574, ISSN: 0036-8075.

131 references, page 1 of 9
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