Plasmonic materials currently have a plethora of applications. How would a dielectric matrix, such as diblock copolymers, tune plasmonic properties? In this work, self-assembled gold nanoparticles were fabricated in medium vacuum conditions on heated Corning glass substrates (kept at 440 ^°C) under the coexistence of argon and air by means of DC magnetron sputtering. These samples were compared structurally and optically to samples deposited at room temperature and post annealed. Subsequently, the better of the two preparations, those deposited on heated glass, were covered with three different polymers, namely: Polystyrene-block-polybutadiene-block-polystyrene (PS-b-PBD-b-PS); Polystyrene-co-methyl methacrylate (PS-co-PMMA); and Polystyrene-block-polyisoprene-block-polystyrene (PS-b-PI-b-PS), by means of spin coating. Localized surface plasmon resonances were recorded and analyzed, respectively, for polymer-covered gold nanoparticles, with the width, intensity, and position of the resonances changing according to multiple factors, such as the nanoparticles size and the refractive index of each polymer. Lastly, for purposes of justification and comparison with the experimental results, rigorous theoretical calculations have been carried out.

Ag/Pd multilayers and AgPd alloyed ultrathin films were deposited on Corning glass by magnetron sputtering. After being annealed in a furnace in air at 460 °C, self-assembled nanoparticles were formed. Localized surface plasmon resonances were observed only for the Ag-rich samples in the full range of the visible light spectrum. The resonance position was found to depend on the initial film thickness. In order to gain further physical insight, rigorous theoretical calculations were carried out via the rigid coupled-wave analysis method for the entire compositional range between Ag and Pd. Theoretical calculations were proven to be in suitable agreement with the experimental results.

The present article examined the influence of size and periodicity of simulated gold (Au) nanoparticles (NPs) embedded in Nickel Oxide (NiO) matrix on localized plasmonic resonances (LSPRs). The scope of this work is to comparatively study the theoretical outcomes exhibited against the experimental results delivered from previous works, including a significant number of simulations and testing of numerous NPs diameter values. A comparison between Au and NiO NPs over silver (Ag) and NiO NPs is also reported to investigate whether the nature of noble metal affects its behavior in terms of LSPRs. The computational results strongly support that the appearance and intensity of LSPRs is straightforward to the increase in the diameter of NPs. The simulation results are in a good agreement with the literature of small NPs, offering the opportunity to further understand the LSPR phenomenon and its more effective implementation to opto-electronic applications. Rigorous Coupled Wave Analysis (RCWA) is performed to stimulate the justification and knowledge of the theoretical conclusions.

In this work, using Density Functional Theory (DFT) and Time Dependent DFT, the absorption spectrum, the optical gap, and the binding energy of scandium pnictogen family nanoparticles (NPs) are examined. The calculated structures are created from an initial cubic-like building block of the form Sc₄Y₄, where Y = N, P, As after elongation along one and two perpendicular directions. The existence of stable structures over a wide range of morphologies was one of the main findings of this research, and this led to the study of several exotic NPs. The absorption spectrum of all the studied structures is within the visible spectrum, while the optical gap varies between 1.62 and 3 eV. These NPs could be used in the field in photovoltaics (quantum dot sensitized solar cells) and display applications.

In this work, the structural and optical properties of calcium monochalcogenide nanoparticles were numerically examined by using Density Functional Theory and Time Dependent Density Functional Theory. The composition of the examined nanoparticles was obtained from an initial cubic-like building block of the form Ca₄Y₄, where Y could be one of the chalcogen elements sulfur, selenium, and tellurium, after its proper numerical examination to check their structural stability. The examined nanoparticles were then created from these initial cubic-like building blocks after their elongation along one, two, and three perpendicular directions. Τhe Absorption Spectrum, the Binding Energy, together with the highest occupied-lowest unoccupied molecular orbital (HOMO-LUMO) gap, were included in the calculations of the studied calcium monochalcogenides. The calculations provided numerical evidence regarding the existence of stable structures for a wide range of morphologies. In addition, the examination of the properties of such nanostructures after placing different kinds of defects was also included in the calculations, thus leading to new groups of nanoparticles with several potential uses in technological applications, such as hydrogen storage, CO₂ capture, and ultraviolet-responsive devices.