Publisher’s Note: “Comparative study of the structures of copper, silver, and gold icosamers: Influence of metal type and charge state” [J. Chem. Phys. 129, 154304 (2008)]

Evidencing the relationship between isomer spectra and melting: the 20- and 55-atom silver and gold cluster cases

“…The structural aspects for neutral, cationic and anionic Ag 20 , Au 20 , Ag 55 and Au 55 within the DFTB approach were discussed in details in a previous work 51 from global exploration (PTMD complemented by quenching). The lowest energy isomers for Au 20 , Au + 20 and Au 20 were found to be very symmetric structures, namely a T d pyramid fort the neutral cluster and a T d pyramid with small Jahn-Teller deviations for the anion, in agreement with previous experimental and theoretical works [69][70][71] . In contrast, the lowest energy structures of Ag 20 and its ions are essentially based on pentagonal arrangements and have lower symmetry, namely C 3 for the neutral and the cation, C s for the anion.…”

“…Finally, let us mention that the melting temperature of Au 20 in the present DFTB approach is 1101K to be compared with 770K in the DFT/LDA study of Krishnamurty et al 29 . This was discussed in a previous article 32 as related to different isomer gaps (0.64 eV with DFTB, 0.75 with DFT/TPSS 71 and 0.44 with DFT/LDA 29 ). In the case of Ag 55 , Mottet et al 26 found a melting at 570 K, starting from 530 K. Both this latter result and our present melting temperature (T melt = 763K) are significantly lower than that of the bulk (1232 K 73 ).…”

Probing the electronic properties and structural evolution of anionic gold clusters in the gas phase

“…. In a more recent TIED measurement, 93 Lechtken et al conducted a comparative study of the structures of the 20-atom clusters of copper, silver, and gold with different charge states, and found that Au 20…”

Μελέτη Διμεταλλικών Συσσωματωμάτων

“…Εκτός των αναφορών που ακολουθούν, ο αναγνώστης μπορεί να ανατρέξει και στις εξής:Harb 2007, Tian 2006, Öğüt 2006, Idrobo 2005, Shen 2003, Basch 1981, Mitrić 2003, Zhao 2006a, Shim 1983, Bonačić-Koutecký 2002, Wu 2004a, Liu 2000, Huda 2003b, Zhao 2005, Liao 1992, Lechtken 2008, Chang 2004 …”

“…Εκτός των αναφορών που ακολουθούν, ο αναγνώστης μπορεί να ανατρέξει και στις εξής:Shim 1983, Liao 1992, Barden 2000, Kabir 2003, Amos 1988, Wang 1985, Bauslicher 1982, Gutsev 2004, Lechtken 2008 …”