Optical absorption spectra and structures of Ag 6 + and Ag 8 +

Chemical bonding in initial building blocks of semiconductors: Geometrical structures and optical absorption spectra of isolated CdSe2+ and Cd2Se2+ species

“…Finally, the experimental absorption spectra [the absorption cross section σ( ω) as a function of the photon energy] are obtained by applying the Lambert-Beer law 63 for one-photon absorption processes and assuming a perfect overlap between the molecular beam and the dissociation laser, as in earlier studies. [64][65][66][67] Consequently, the photodissociation cross sections presented should be considered as lower limits to the total absorption cross sections.…”

Optical Absorption of Small Palladium‐Doped Gold Clusters

“…In contrast, the larger s-d separation in Ag allows the use of free electron models to describe its optical response, such as the plasmonic-like absorption spectra of very small Ag n + (n = 4, 6, 8) clusters. [22,23] The properties of coinage metal clusters can be tuned by dopant atoms. [26] It has been shown that the addition of a single dopant atom can drastically change the stability, [27] reactivity, [28] and electronic properties of clusters.…”

First principles global optimization of metal clusters and nanoalloys

“…Even if the experimental structure is not the GM, typically it is a very low energy isomer [46]. In combined experimental and theoretical studies, the presence of one or more low lying isomers have been found to explain experimental results very well [49][50][51]. The approach in such combined studies is: (i) to measure a physico-chemical property of a particular cluster; (ii) to use a GO technique to search for the GM and other low energy structures and (iii) to calculate the same property for these isomers.…”

“…Several joint experimental and theoretical studies have proven to be very powerful tools in the structure determination of small silver cluster cations [49,102,103]. , using the GA-DFT approach, it was possible to explain experimental UV-Vis photodissociation spectra in terms of one or more lowest lying energy isomers [49,102,103]. The GM structure of Ag 4…”