Khảo sát sự dịch chuyển cấu trúc từ 2D sang 3D, so sánh độ bền của các cluster vàng AuN (n = 2 - 14) bằng lý thuyết phiếm hàm mật độ
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Assadollahzadeh, B., Schwerdtfeger, P., 2009. A systematic search for minimum structures of small gold clusters Aun (n = 2 – 20) and their electronic properties, J. Chem. Phys. 131: 0643061–06430612.
Baletto, F., Ferrando, R., 2005. Structural properties of nanoclusters: Energetic, thermodynamic, and kinetic effects. Rev. Mod. Phys. 77: 371 – 423.
Cramer, C.J., Truhlar, D.G., 2009. Density functional theory for transition metals and transition metal chemistry. Phys Chem Chem Phys 11: 10757–10816.
Furche F., Ahlrichs, R., Weis, P., Jacob, C., Gilb, S., Bierweiler, T., Kappes, M. M., 2002. The structures of small gold cluster anions as determined by a combination of ion mobility measurements and density functional calculations. J. Chem. Phys. 117: 6982–90.
Häkkinen, H., Moseler M., Landman U., 2002. Bonding in Cu, Ag, and Au clusters: Relativistic Effects, Trends, and Surprises. Phys. Rev. Lett. 89: 033401–4.
Häkkinen, H., Yoon, B., Landman, U., Li, X., Zhai, H.J., Wang, L.S., 2003. On the electronic and atomic structures of small Aun– (n = 4 −14) clusters: A photoelectron spectroscopy and density-functional study. J. Phys. Chem. A 107: 6168–6175.
Johansson, M.P., Lechtken, A., Schooss, D., Kappes, M.M., Furche, F., 2008. 2D-3D transition of gold cluster anions resolved. Phys Rev A 77: 0532021–7.
Li, X.B., Wang, H.Y., Yang, X.D., Zhu, Z.H., Tang, Y.J., 2007. Size dependence of the structures and energetic and electronic properties of gold clusters. J. Chem. Phys. 126: 845051–9.
Morse, M.D., 1986. Clusters of transition-metal atoms. Chem Rev 86: 1049–1109.
Riboh, J.C., Haes A.J., McFarland A.D., Ranjit C., Van Duyne R.P., 2003. A nanoscale optical biosensor: Real-time immunoassay in physiological buffer enabled by improved nanoparticle adhesion. J Phys Chem B 107: 1772–80.
Peterson, K. A., Puzzarini, C., 2005. Systematically convergent basis sets for transition metals. II. Pseudopotential-based correlation consistent basis sets for the group 11 (Cu, Ag, Au) and 12 (Zn, Cd, Hg) elements. Theor. Chem. Acc. 114: 283–296.
Pyykkö P., 2004. Theoretical chemistry of gold. Angew Chem Int Ed 43: 4412–56.
Schwerdtfeger, P., 2003. Gold goes nano - from small clusters to low-dimensional assemblies. Angew Chem Int Ed 42: 1892–95.
Valden, M., Lai, X., Goodman, D.W., 1998. Onset of catalytic activity of gold clusters on titania with the appearance of nonmetallic properties. Science 281: 1647–50.
Walker, A. V. , 2005. Structure and energetics of small gold nanoclusters and their positive ions. J. Chem. Phys. 122: 0943101–12.
Wang, J., Wang, G., Zhao, J., 2002. Density-functional study of Aun (n = 2 – 20) clusters: Lowest-energy structures and electronic properties. Phys. Rev. B 66: 035418 – 24.
Xiao, L., Wang, L., 2004. From planar to three-dimensional structural transition in gold clusters and the spin–orbit coupling effect. Chem. Phys. Lett. 392: 452–455.
Zanti, G., Peeters, D., 2013. Electronic structure analysis of small gold clusters Aum (m ≤ 16) by density functional theory. Theor. Chem. Acc. 132: 13001–15.
Zhao, J., Yang, J., Hou, J. G., 2003. Theoretical study of small two-dimensional gold clusters. Phys. Rev. B 67: 0854041–6.