AI Article Synopsis
- Clusters represent a unique matter scale that is crucial for understanding how structure relates to function in materials, lying between single atoms and larger constructs.
- The study examined 2D planar Au clusters (sizes 1-12) doped with magnesium and germanium, discovering significant structural behavior, including rapid 3D growth of GeMgAu isomers and the distinct interactions of Au with these dopants.
- Findings aim to enhance knowledge of gold clusters and provide guidance on creating 3D structures through selective doping, highlighting the concepts of "affinity" and "alienation" between different atom types.
Article Abstract
A cluster is a special matter level above a single atom and between macroscopic and microscopic matter, and it is an important bridge to understanding the relationship between the structure and function of matter. Here, we perform a comprehensive theoretical study of 2D planar Au (n = 1-12) clusters doped with both magnesium and germanium. Two interesting results are found, namely the rapid 3D "roll-up" structural growth of the GeMgAu (n = 1-12) cluster ground state isomers, and the relative "alienation" of the different sizes of the Au (n = 1-12) cluster framework towards the Ge atom, and the relative "affinity" towards the Mg atom. This study will not only enrich the data on gold-based clusters but will also provide a simple and clear theoretical guide for the 3D structuring of planar clusters, i.e. the doping of different classes of "affinition" and "alienatation" atoms.
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Source |
|---|---|
| http://www.ncbi.nlm.nih.gov/pmc/articles/PMC9574516 | PMC |
| http://dx.doi.org/10.1016/j.isci.2022.105215 | DOI Listing |
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