Structural Evolution of Gold-Doped Bismuth Clusters AuBin– (n = 4–8)

作者: Seema Pande , Tian Jian , Navneet Singh Khetrapal , Lai-Sheng Wang , Xiao Cheng Zeng

DOI: 10.1021/ACS.JPCC.8B00166

关键词:

摘要: … combined experimental and theoretical studies on bismuth clusters. Gausa et al. performed … for anionic bismuth clusters and reported a rooflike and a planar ring structure for bismuth …

参考文章(44)
M. A. Sobhy, J. Ulises Reveles, Ujjwal Gupta, Shiv N. Khanna, A. W. Castleman, Photoelectron imaging and theoretical investigation of bimetallic Bi1–2Ga0–2− and Pb1–4− cluster anions Journal of Chemical Physics. ,vol. 130, pp. 054304- 054304 ,(2009) , 10.1063/1.3069295
M. Valiev, E.J. Bylaska, N. Govind, K. Kowalski, T.P. Straatsma, H.J.J. Van Dam, D. Wang, J. Nieplocha, E. Apra, T.L. Windus, W.A. de Jong, NWChem: a comprehensive and scalable open-source solution for large scale molecular simulations Computer Physics Communications. ,vol. 181, pp. 1477- 1489 ,(2010) , 10.1016/J.CPC.2010.04.018
B. Delley, From molecules to solids with the DMol3 approach Journal of Chemical Physics. ,vol. 113, pp. 7756- 7764 ,(2000) , 10.1063/1.1316015
N Böwering, M Martins, G Snell, R Kuntze, U Heinzmann, Spin-resolved photoelectron spectroscopy in the autoionization region of atomic bismuth Journal of Physics B. ,vol. 31, pp. 5221- 5232 ,(1998) , 10.1088/0953-4075/31/23/019
Di Wang, Alberto Villa, Francesca Porta, Laura Prati, Dangsheng Su, Bimetallic Gold/Palladium Catalysts: Correlation between Nanostructure and Synergistic Effects Journal of Physical Chemistry C. ,vol. 112, pp. 8617- 8622 ,(2008) , 10.1021/JP800805E
John P. Perdew, Kieron Burke, Matthias Ernzerhof, Generalized Gradient Approximation Made Simple Physical Review Letters. ,vol. 77, pp. 3865- 3868 ,(1996) , 10.1103/PHYSREVLETT.77.3865
David J. Wales, Jonathan P. K. Doye, Global Optimization by Basin-Hopping and the Lowest Energy Structures of Lennard-Jones Clusters Containing up to 110 Atoms Journal of Physical Chemistry A. ,vol. 101, pp. 5111- 5116 ,(1997) , 10.1021/JP970984N
K. Balasubramanian, Dai‐Wei Liao, Spectroscopic constants and potential energy curves of Bi2 and Bi−2 Journal of Chemical Physics. ,vol. 95, pp. 3064- 3073 ,(1991) , 10.1063/1.460863
Lai‐Sheng Wang, Y. T. Lee, D. A. Shirley, K. Balasubramanian, P. Feng, Photoelectron spectroscopy and electronic structure of clusters of the group V elements. I, Dimers Journal of Chemical Physics. ,vol. 93, pp. 6310- 6317 ,(1990) , 10.1063/1.459000
R. A. Kendall, thom H. Dunning, Jr., Robert J. Harrison, Electron affinities of the first-row atoms revisited. Systematic basis sets and wave functions Journal of Chemical Physics. ,vol. 96, pp. 6796- 6806 ,(1992) , 10.1063/1.462569