Paper Titles

Structural Analysis of Au/Ti/Al/SiC Contacts in Dependence on the Initial Composition and Annealing
p.55

Carrier-Phonon Scattering Rate and Charge Transport in Spherical and TMV Nanometric Viruses
p.65

Novel, Simple, Versatile and General Synthesis of Nanoparticles Made from Proteins, Nucleic Acids and other Materials
p.77

Inactivation of Salmonella typhi Using Fe³⁺ Doped TiO₂/3SnO₂ Photocatalytic Powders and Films
p.89

On the Nanostructure of SiC
p.99

Small Scale Reforming Separation Systems with Nanomembrane Reactors for Direct Fuel Cell Applications
p.105

Synthesis Second Assembly of Calcium Carbonate Sphere Chains
p.115

A Study of the Structural and Vibrational Properties of Diamond Nanoparticles Grown by Chemical Vapor Deposition
p.123

Structural Stability and Thermal Transformation of Pt-Sn Bimetallic Nano Clusters
p.131

HomeJournal of Nano ResearchJournal of Nano Research Vol. 12Structural Stability and Thermal Transformation of...

Structural Stability and Thermal Transformation of Pt-Sn Bimetallic Nano Clusters

Article Preview

Abstract:

In this work, structural stability and thermal transformation of Pt-Sn bimetallic nano clusters are studied by molecular dynamics simulations, combined with the modified embedded atom method. For a more accurate description of the interatomic interactions, new Modified Embedded Atom Method alloying parameters for Pt-Sn are derived based on ab initio density functional theory calculations. The calculated Gibbs free energies of formation show that all kinds of structures are energetically favorable and the most stable structure is solid solution cluster, and then the core/shell, and eutectic-like cluster. For whatever compositions the eutectic-like clusters must transform into one pure Sn cluster and one Pt core/Sn shell cluster up to certain temperature during heating process, the Sn coverage on Pt core is dependent on its composition. For solid solution and Pt core/Sn shell or Sn core/Pt shell, once the structure forms, it can keep basically unchanged from the point of view of elemental distribution. Surface segregation is not apparent observed.

You might also be interested in these eBooks

Journal of Nano Research Vol. 12

Info:

Periodical:

Journal of Nano Research (Volume 12)

Pages:

131-138

DOI:

https://doi.org/10.4028/www.scientific.net/JNanoR.12.131

Citation:

Cite this paper

Online since:

December 2010

Authors:

H.B. Liu, Jorge Antonio Ascencio

Keywords:

Bimetallic Nanocluster, Modified Embedded Atom Method, Pt-Sn, Structural Stability

Export:

RIS, BibTeX

Price:

Permissions CCC:

Request Permissions

Permissions PLS:

Request Permissions

Сopyright:

© 2010 Trans Tech Publications Ltd. All Rights Reserved

Share:

Citation:

[1] F. Donsi, K. A. Williams, and L.D. Schmidt: Ind. Eng. Chem. Res. Vol. 44 (2005), pp.3453-3470.

[2] M. J. Gonzalez, C. T. Hable, and M.S. Wrighton: J. Phys. Chem. B Vol. 102 (1998), pp.9881-9890.

[3] S. J. Cho, and R. Ryoo: Catal. Lett. Vol. 97(2004), pp.71-75.

[4] F. Colmati, E. Antolini, E. R. Gonzalez: Appl. Catal. B Vol. 73 (2007), p.106–115.

[5] F.E. Jones, S.B. Milne, B. Gurau, E.S. Smotkin, S.R. Stock, C.M. Lukehart: J. Nanosci. Nanotechno. Vol. 2(2002), pp.81-87.

[6] A.O. Neto, T.R.R. Vasconcelos, R.W.R.V. Da Silva, M. Linardi and E.V. Spinace: J. Appl. Electrochem. Vol. 35(2005), p.193–198.

[7] A.N. Haner, P.N. Ross: J. Phys. Chem. Vol. 95 (1991), p.3740.

[8] S.A. Campbell, R. Parsons: J. Chem. Soc. Faraday Trans. Vol. 88(1992), p.833.

[9] K. Wang, H.A. Gasteiger, N.M. Markovic, P.N. Ross Jr.: Electrochim. Acta Vol. 41(1996), p.2587.

[10] C. Panja, N. Saliba, B.E. Koel: Surf. Sci. Vol. 395(1998), p.248.

[11] K. Balakrishnan and R. D. Gonzalez: Langmuir Vol. 10(1994), pp.2487-2490.

[12] D. R. Lycke, E.L. Gyenge: Electrochim. Acta Vol. 52(2007), p.4287–4298.

[13] R. Alcala, J.W. Shabaker, G.W. Huber, M.A. Sanchez-Castillo, and J.A. Dumesic: J. Phys. Chem. B Vol. 109 (2005), p.2074-(2085).

[14] Y. K. Hwang, D.K. Kim, A.S. Mamman, S.E. Park and J.S. Chang: Chem. Lett. Vol. 36(2007), pp.186-187.

[15] Z.L. Liu, B. Guo, L. Hong and T. H. Lim: Electrochem. Comm. Vol. 8(2006), pp.83-90.

[16] A.C. Boucher and N. Alonso-Vante: Langmuir Vol. 19(2003), pp.10885-10891.

[17] C. Creemers, P. Deurinck, S. Helfensteyn, J. Luyten: Appl. Surf. Sci. Vol. 219(2003), p.11–27.

[18] Holderer, T. Epicier, C. Esnouf and G. Fuchs: J. Phys. Chem. B Vol. 107 (2003), pp.1723-1726.

[19] S.J. Plimpton: J. Comp. Phys. Vol. 117 (1995), pp.1-19. The LAMMPS program is available at http: /lammps. sandia. gov.

[20] M.I. Baskes: Phys. Rev. B Vol. 46 (1992), p.2727.

[21] R. Ravelo: M.I. Baskes, Mater. Res. Soc. Symp. Proc. Vol. 398(1996), p.287.

[22] R. Ravelo and M. Baskes: Phys. Rev. Lett. Vol. 79 (1997), p.2482.

[23] M. Hoheisel, S. Speller, J. Kuntze, A. Atrei, U. Bardi and W. Heiland: Phys. Rev. B Vol. 63(2001), p.245403.

[24] Materials Studio CASTEP, Accelrys Inc., San Diego, (2001).

[25] T. Dumitrica, M. Hua, and B.I. Yakobson, Phys. Rev. B Vol. 70(2004), p.241303(R).

[26] H. Okamoto: J. Phase Equilib. Vol. 24(2003), pp.198-198.

[27] J. A. Ascencio , H. B. Liu, A. Medina, U. Pal: Microscopy Res. and Techniq. Vol. 69(2006), pp.522-530.

[28] H. B. Liu, U. Pal, R. Perez and J.A. Ascencio: J. Phys. Chem. B Vol. 110 (2006), p.5191.

[29] H. B. Liu, U. Pal, A. Medina, C. Maldonado and J. A. Ascencio: Phys. Rev. B Vol. 71(2005), p.075403.

[30] H. B. Liu, G. Canizal, P. S. Schabes-Retchkiman and J.A. Ascencio: J. Phys. Chem. B Vol. 110(2006), p.12333.

DOI: 10.1021/jp061856e