Research Article
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Year 2020, Volume: 24 Issue: 3, 501 - 510, 01.06.2020
https://doi.org/10.16984/saufenbilder.685370

Abstract

References

  • [1] F. Baletto and R. Ferrando, “Structural properties of nanoclusters: Energetic, thermodynamic, and kinetic effects,” Rev. Mod. Phys., vol. 77, no. 1, pp. 371–423, 2005.
  • [2] R. Ismail, “Theoretical studies of free and supported nanoalloy clusters,” 2013.
  • [3] R. Johnson, Atomic and Molecular Clusters. 2014.
  • [4] R. Ferrando, J. Jellinek, and R. L. Johnston, “Nanoalloys: From Theory to Applications of Alloy Clusters and Nanoparticles,” Chem. Rev., vol. 108, no. 3, pp. 845–910, 2008.
  • [5] R. Ferrando, “Determining the equilibrium structures of nanoalloys by computational methods,” J. Nanoparticle Res., vol. 20, p. 179, 2018.
  • [6] R. Ferrando, Structure and properties of nanoalloys. Elsevier, 2016.
  • [7] T. P. Martin, “Shells of atoms,” Phys. Rep., vol. 273, pp. 199–241, 1996.
  • [8] R. Ferrando, “Symmetry breaking and morphological instabilities in core-shell metallic nanoparticles,” J. Phys. Condens. Matter, vol. 27, p. 013003, 2015.
  • [9] D. Bochicchio and R. Ferrando, “Morphological instability of core-shell metallic nanoparticles,” Phys. Rev. B - Condens. Matter Mater. Phys., vol. 87, no. 16, p. 165435, 2013.
  • [10] T. X. Li, Y. L. Ji, S. W. Yu, and G. H. Wang, “Melting properties of noble metal clusters,” Solid State Commun., vol. 116, no. 10, pp. 547–550, 2000.
  • [11] C. Mottet, G. Rossi, F. Baletto, and R. Ferrando, “Single impurity effect on the melting of nanoclusters,” Phys. Rev. Lett., vol. 95, no. 3, p. 035501, 2005.
  • [12] D. Cheng and D. Cao, “Ternary alloying effect on the melting of metal clusters,” Eur. Phys. J. B, vol. 66, no. 1, pp. 17–23, 2008.
  • [13] M. Zhang and R. Fournier, “Structure of 55-atom bimetallic clusters,” J. Mol. Struct. THEOCHEM, vol. 762, no. 1–3, pp. 49–56, 2006.
  • [14] R. P. Gupta, “Lattice relaxation at a metal surface,” Phys. Rev. B, vol. 23, no. 12, p. 626, 1981.
  • [15] V. Rosato, M. Guillope, and B. Legrand, “Thermodynamical and structural properties of f.c.c. transition metals using a simple tight-binding model,” Philos. Mag. A, vol. 59, no. 2, pp. 321–336, 1989.
  • [16] S. Taran, A. K. Garip, and H. Arslan, “Theoretical study of the structures and chemical ordering of CoPd nanoalloys supported on MgO(001),” Int. J. Mod. Phys. C, vol. 27, no. 12, p. 1650146, 2016.
  • [17] H. Arslan, A. K. Garip, and S. Taran, “A molecular dynamics study: structural and thermal evolution of 147 atom ComAun nanoalloys,” J. Nanoparticle Res., vol. 21, no. 6, p. 130, 2019.
  • [18] H. Arslan, A. K. Garip, and R. L. Johnston, “Theoretical study of the structures and chemical ordering of cobalt–palladium nanoclusters,” Phys. Chem. Chem. Phys., vol. 17, no. 42, pp. 28311–28321, 2015.
  • [19] S. Taran, “Composition effect on melting behaviors of Cu-Au-Pt trimetallic nanoalloys,” Comput. Theor. Chem., vol. 1166, p. 112576, 2019.
  • [20] H. Akbarzadeh, M. Abbaspour, and E. Mehrjouei, “Effect of systematic addition of the third component on the melting characteristics and structural evolution of binary alloy nanoclusters,” J. Mol. Liq., vol. 249, pp. 412–419, 2018.
  • [21] G. Rossi and R. Ferrando, “Combining shape-changing with exchange moves in the optimization of nanoalloys,” Comput. Theor. Chem., vol. 1107, pp. 66–73, 2017.
  • [22] X. Wu, G. Wu, Y. Chen, and Y. Qiao, “Structural optimization of Cu - Ag - Au trimetallic clusters by adaptive immune optimization algorithm,” J. Phys. Chem. A, vol. 115, no. 46, pp. 13316–13323, 2011.
  • [23] Z. Zhao, M. Li, D. Cheng, and J. Zhu, “Understanding the structural properties and thermal stabilities of Au-Pd-Pt trimetallic clusters,” Chem. Phys., vol. 441, pp. 152–158, 2014.
  • [24] D. J. Borbón-González, A. Fortunelli, G. Barcaro, L. Sementa, R. L. Johnston, and A. Posada-Amarillas, “Global minimum Pt13M20 (M = Ag, Au, Cu, Pd) dodecahedral core-shell clusters,” J. Phys. Chem. A, vol. 117, no. 51, pp. 14261–14266, 2013.
  • [25] D. Cheng, X. Liu, D. Cao, W. Wang, and S. Huang, “Surface segregation of Ag-Cu-Au trimetallic clusters,” Nanotechnology, vol. 18, no. 47, p. 475702, 2007.
  • [26] D. J. Wales and J. P. K. Doye, “Global Optimization by Basin-Hopping and the Lowest Energy Structures of Lennard-Jones Clusters Containing up to 110 Atoms,” J. Phys. Chem. A, vol. 101, no. 28, pp. 5111–5116, 1997.
  • [27] R. Ferrando, “Stress-driven structural transitions in bimetallic nanoparticles,” Front. Nanosci., vol. 12, pp. 189–204, 2018.

Alloying Effect on the Local Atomic Pressures of Nanoclusters

Year 2020, Volume: 24 Issue: 3, 501 - 510, 01.06.2020
https://doi.org/10.16984/saufenbilder.685370

Abstract

In this study, simulations were performed to investigate local atomic pressures of icosahedral nanoclusters with 55 atoms. Before analyzing the local atomic pressures, the best chemical ordering structures were obtained using Monte Carlo Basin-Hopping algorithm within Gupta potential. Binary and ternary alloying effect on the local atomic pressures of mono, binary and ternary nanoclusters formed by Cu, Ag and Pt atoms was investigated in detail. It was obtained that adding one atom of second alloying metal in pure nanoclusters and also third alloying metal in binary nanoalloys can change the local atomic pressure due to locating tendency in the icosahedral structure. Also, it was observed that adding a smaller atom at the central site of the icosahedral structure exhibits decreasing of core stress.

References

  • [1] F. Baletto and R. Ferrando, “Structural properties of nanoclusters: Energetic, thermodynamic, and kinetic effects,” Rev. Mod. Phys., vol. 77, no. 1, pp. 371–423, 2005.
  • [2] R. Ismail, “Theoretical studies of free and supported nanoalloy clusters,” 2013.
  • [3] R. Johnson, Atomic and Molecular Clusters. 2014.
  • [4] R. Ferrando, J. Jellinek, and R. L. Johnston, “Nanoalloys: From Theory to Applications of Alloy Clusters and Nanoparticles,” Chem. Rev., vol. 108, no. 3, pp. 845–910, 2008.
  • [5] R. Ferrando, “Determining the equilibrium structures of nanoalloys by computational methods,” J. Nanoparticle Res., vol. 20, p. 179, 2018.
  • [6] R. Ferrando, Structure and properties of nanoalloys. Elsevier, 2016.
  • [7] T. P. Martin, “Shells of atoms,” Phys. Rep., vol. 273, pp. 199–241, 1996.
  • [8] R. Ferrando, “Symmetry breaking and morphological instabilities in core-shell metallic nanoparticles,” J. Phys. Condens. Matter, vol. 27, p. 013003, 2015.
  • [9] D. Bochicchio and R. Ferrando, “Morphological instability of core-shell metallic nanoparticles,” Phys. Rev. B - Condens. Matter Mater. Phys., vol. 87, no. 16, p. 165435, 2013.
  • [10] T. X. Li, Y. L. Ji, S. W. Yu, and G. H. Wang, “Melting properties of noble metal clusters,” Solid State Commun., vol. 116, no. 10, pp. 547–550, 2000.
  • [11] C. Mottet, G. Rossi, F. Baletto, and R. Ferrando, “Single impurity effect on the melting of nanoclusters,” Phys. Rev. Lett., vol. 95, no. 3, p. 035501, 2005.
  • [12] D. Cheng and D. Cao, “Ternary alloying effect on the melting of metal clusters,” Eur. Phys. J. B, vol. 66, no. 1, pp. 17–23, 2008.
  • [13] M. Zhang and R. Fournier, “Structure of 55-atom bimetallic clusters,” J. Mol. Struct. THEOCHEM, vol. 762, no. 1–3, pp. 49–56, 2006.
  • [14] R. P. Gupta, “Lattice relaxation at a metal surface,” Phys. Rev. B, vol. 23, no. 12, p. 626, 1981.
  • [15] V. Rosato, M. Guillope, and B. Legrand, “Thermodynamical and structural properties of f.c.c. transition metals using a simple tight-binding model,” Philos. Mag. A, vol. 59, no. 2, pp. 321–336, 1989.
  • [16] S. Taran, A. K. Garip, and H. Arslan, “Theoretical study of the structures and chemical ordering of CoPd nanoalloys supported on MgO(001),” Int. J. Mod. Phys. C, vol. 27, no. 12, p. 1650146, 2016.
  • [17] H. Arslan, A. K. Garip, and S. Taran, “A molecular dynamics study: structural and thermal evolution of 147 atom ComAun nanoalloys,” J. Nanoparticle Res., vol. 21, no. 6, p. 130, 2019.
  • [18] H. Arslan, A. K. Garip, and R. L. Johnston, “Theoretical study of the structures and chemical ordering of cobalt–palladium nanoclusters,” Phys. Chem. Chem. Phys., vol. 17, no. 42, pp. 28311–28321, 2015.
  • [19] S. Taran, “Composition effect on melting behaviors of Cu-Au-Pt trimetallic nanoalloys,” Comput. Theor. Chem., vol. 1166, p. 112576, 2019.
  • [20] H. Akbarzadeh, M. Abbaspour, and E. Mehrjouei, “Effect of systematic addition of the third component on the melting characteristics and structural evolution of binary alloy nanoclusters,” J. Mol. Liq., vol. 249, pp. 412–419, 2018.
  • [21] G. Rossi and R. Ferrando, “Combining shape-changing with exchange moves in the optimization of nanoalloys,” Comput. Theor. Chem., vol. 1107, pp. 66–73, 2017.
  • [22] X. Wu, G. Wu, Y. Chen, and Y. Qiao, “Structural optimization of Cu - Ag - Au trimetallic clusters by adaptive immune optimization algorithm,” J. Phys. Chem. A, vol. 115, no. 46, pp. 13316–13323, 2011.
  • [23] Z. Zhao, M. Li, D. Cheng, and J. Zhu, “Understanding the structural properties and thermal stabilities of Au-Pd-Pt trimetallic clusters,” Chem. Phys., vol. 441, pp. 152–158, 2014.
  • [24] D. J. Borbón-González, A. Fortunelli, G. Barcaro, L. Sementa, R. L. Johnston, and A. Posada-Amarillas, “Global minimum Pt13M20 (M = Ag, Au, Cu, Pd) dodecahedral core-shell clusters,” J. Phys. Chem. A, vol. 117, no. 51, pp. 14261–14266, 2013.
  • [25] D. Cheng, X. Liu, D. Cao, W. Wang, and S. Huang, “Surface segregation of Ag-Cu-Au trimetallic clusters,” Nanotechnology, vol. 18, no. 47, p. 475702, 2007.
  • [26] D. J. Wales and J. P. K. Doye, “Global Optimization by Basin-Hopping and the Lowest Energy Structures of Lennard-Jones Clusters Containing up to 110 Atoms,” J. Phys. Chem. A, vol. 101, no. 28, pp. 5111–5116, 1997.
  • [27] R. Ferrando, “Stress-driven structural transitions in bimetallic nanoparticles,” Front. Nanosci., vol. 12, pp. 189–204, 2018.
There are 27 citations in total.

Details

Primary Language English
Subjects Metrology, Applied and Industrial Physics
Journal Section Research Articles
Authors

Songül Taran 0000-0001-8115-2169

Publication Date June 1, 2020
Submission Date February 6, 2020
Acceptance Date March 23, 2020
Published in Issue Year 2020 Volume: 24 Issue: 3

Cite

APA Taran, S. (2020). Alloying Effect on the Local Atomic Pressures of Nanoclusters. Sakarya University Journal of Science, 24(3), 501-510. https://doi.org/10.16984/saufenbilder.685370
AMA Taran S. Alloying Effect on the Local Atomic Pressures of Nanoclusters. SAUJS. June 2020;24(3):501-510. doi:10.16984/saufenbilder.685370
Chicago Taran, Songül. “Alloying Effect on the Local Atomic Pressures of Nanoclusters”. Sakarya University Journal of Science 24, no. 3 (June 2020): 501-10. https://doi.org/10.16984/saufenbilder.685370.
EndNote Taran S (June 1, 2020) Alloying Effect on the Local Atomic Pressures of Nanoclusters. Sakarya University Journal of Science 24 3 501–510.
IEEE S. Taran, “Alloying Effect on the Local Atomic Pressures of Nanoclusters”, SAUJS, vol. 24, no. 3, pp. 501–510, 2020, doi: 10.16984/saufenbilder.685370.
ISNAD Taran, Songül. “Alloying Effect on the Local Atomic Pressures of Nanoclusters”. Sakarya University Journal of Science 24/3 (June 2020), 501-510. https://doi.org/10.16984/saufenbilder.685370.
JAMA Taran S. Alloying Effect on the Local Atomic Pressures of Nanoclusters. SAUJS. 2020;24:501–510.
MLA Taran, Songül. “Alloying Effect on the Local Atomic Pressures of Nanoclusters”. Sakarya University Journal of Science, vol. 24, no. 3, 2020, pp. 501-10, doi:10.16984/saufenbilder.685370.
Vancouver Taran S. Alloying Effect on the Local Atomic Pressures of Nanoclusters. SAUJS. 2020;24(3):501-10.