دورية أكاديمية
Optical Properties of AgAu Alloy Clusters: Effect of Chemical Configuration along a Rearrangement Pathway
| العنوان: | Optical Properties of AgAu Alloy Clusters: Effect of Chemical Configuration along a Rearrangement Pathway |
|---|---|
| المؤلفون: | Hans-Christian Weissker, Florent Calvo |
| المصدر: | Alloys, Vol 3, Iss 1, Pp 31-42 (2024) |
| بيانات النشر: | MDPI AG, 2024. |
| سنة النشر: | 2024 |
| المجموعة: | LCC:Engineering (General). Civil engineering (General) LCC:Mining engineering. Metallurgy LCC:Chemical technology |
| مصطلحات موضوعية: | nanoalloys, optical properties, surface-plasmon resonance, structural rearrangements, Engineering (General). Civil engineering (General), TA1-2040, Mining engineering. Metallurgy, TN1-997, Chemical technology, TP1-1185 |
| الوصف: | Gold and silver are, for all their chemical similarities, optically very different. Small Ag clusters show a localized surface-plasmon resonance (LSPR), whereas in Au clusters smaller than about 300 atoms, the resonance is absent due to the coupling with the interband transitions from the d electrons. This opens the possibility of tuning the cluster properties depending on their composition and chemical configuration. Earlier work on AgAu alloy clusters has shown that the outermost shell of atoms is crucial to their overall optical properties. In the present contribution, we consider the optical spectroscopic properties associated with the structural rearrangement in 55-atom AgAu alloy clusters in which the core transforms from pure silver to pure gold. Calculations using time-dependent density-functional theory are complemented by an in-depth study of the subtle effects that the chemical configuration has on the details of the materials’ d bands. Although the cluster surface remains alloyed, the geometrical changes translate into strong variations in the optical properties. |
| نوع الوثيقة: | article |
| وصف الملف: | electronic resource |
| اللغة: | English |
| تدمد: | 2674-063X |
| Relation: | https://www.mdpi.com/2674-063X/3/1/3; https://doaj.org/toc/2674-063X |
| DOI: | 10.3390/alloys3010003 |
| URL الوصول: | https://doaj.org/article/0ff57802034747db90ab1997e330fcc0 |
| رقم الأكسشن: | edsdoj.0ff57802034747db90ab1997e330fcc0 |
| قاعدة البيانات: | Directory of Open Access Journals |
Full Text Finder | تدمد: | 2674063X |
|---|---|
| DOI: | 10.3390/alloys3010003 |