Issue 40, 2020

Two-dimensional growth mode of thiolate-protected gold nanoclusters Au28+4n(SR)20+2n (n = 0–8): compared with their one-dimensional growth mode

Abstract

In this paper, six new atomic structures of thiolate-protected gold nanoclusters, i.e. Au32(SR)20, Au40(SR)26, Au48(SR)30, two Au56(SR)34, and Au60(SR)36, are predicted. Considering these six newly predicted structures and six previously predicted or crystallized Au28(SR)20, Au36(SR)24, Au44(SR)28, Au52(SR)32, and Au60(SR)36 altogether, the two-dimensional (2D) growth mode of Au28+4n(SR)20+2n (n = 0–8) nanoclusters is completely presented to compare with their one-dimensional (1D) growth mode. In Au28+4n(SR)20+2n (n = 0–8) nanoclusters with both 1D and 2D growth modes, the same number of gold-core atoms with different morphologies can be seen. Furthermore, the growth of the gold cores occurs via sequential fusion of one tetrahedral Au4 unit by sharing one gold atom. In addition, density functional theory calculations show that these six newly predicted gold nanoclusters following the 2D growth mode have relative energies very close to those of their isomeric structures following the 1D growth mode, large highest occupied molecular orbital−lowest unoccupied molecular orbital (HOMO–LUMO) gaps, and all-positive harmonic vibration frequencies, indicating their high stabilities. Therefore, the complete presentation of the 2D growth mode of Au28+4n(SR)20+2n (n = 0–8) is beneficial not only for a better understanding of the structural growth of gold nanoclusters, but also for a theoretical guidance on the prediction of new stable structures for experimental confirmation.

Graphical abstract: Two-dimensional growth mode of thiolate-protected gold nanoclusters Au28+4n(SR)20+2n (n = 0–8): compared with their one-dimensional growth mode

Supplementary files

Article information

Article type
Paper
Submitted
21 юли 2020
Accepted
16 сеп 2020
First published
17 сеп 2020

Nanoscale, 2020,12, 20677-20683

Two-dimensional growth mode of thiolate-protected gold nanoclusters Au28+4n(SR)20+2n (n = 0–8): compared with their one-dimensional growth mode

P. Liu, W. Han, M. Zheng and W. W. Xu, Nanoscale, 2020, 12, 20677 DOI: 10.1039/D0NR05439A

To request permission to reproduce material from this article, please go to the Copyright Clearance Center request page.

If you are an author contributing to an RSC publication, you do not need to request permission provided correct acknowledgement is given.

If you are the author of this article, you do not need to request permission to reproduce figures and diagrams provided correct acknowledgement is given. If you want to reproduce the whole article in a third-party publication (excluding your thesis/dissertation for which permission is not required) please go to the Copyright Clearance Center request page.

Read more about how to correctly acknowledge RSC content.

Social activity

Spotlight

Advertisements