A comprehensive investigation on the equilibrium geometry, relative stability, vibrational spectra, and magnetic and electronic properties of neutral tantalum clusters (Ta , = 2-17) was performed using density functional theory (DFT). We perform a study of the size dependence and correlations among those descriptors of parameters, and showed these could provide a novel way to confirm and predict experimental results. Some new isomer configurations that have never been reported before for tantalum clusters were found.
View Article and Find Full Text PDFTransition metal dichalcogenide (TMD)-based vertical Schottky heterostructures have recently shown promise as a next generation device for a variety of applications. In order for these devices to operate effectively, the interface between the TMD and metal contacts must be well-understood and optimized. In this work, the interface between synthesized MoS and gold or platinum metal contacts is explored as a function of MoS film quality to understand Fermi level pinning effects.
View Article and Find Full Text PDFUsing the difference of the polarization transmission spectra of elliptical nanohole arrays (ENAs), the figure of merit (FOM) of the sensor performance of ENA can be significantly improved, and is inversely proportional to the measurement resolution. By optimizing the aspect ratio of the elliptical holes, Ag thickness, substrate-effect, and adhesive layer, the sensitivity, FOM, and relative sensitivity of the ENA can be improved to be 775 nm RIU, 705 RIU, and 70.23%, respectively, with an excellent linear dependence on the change of refractive index.
View Article and Find Full Text PDFUsing a unique oblique angle co-deposition technique, well-aligned arrays of Ag nanoparticle embedded TiO2 composite nanorods have been fabricated with different concentrations of Ag. The structural, optical, and photocatalytic properties of the composite nanostructures are investigated using a variety of experimental techniques and compared with those of pure TiO2 nanorods fabricated similarly. Ag nanoparticles are formed in the composite nanorods, which increase the visible light absorbance due to localized surface plasmon resonance.
View Article and Find Full Text PDFBoth Fe2O3 thin films and nanorod arrays are deposited using electron beam evaporation through normal thin film deposition and oblique angle deposition (OAD) and are characterized structurally, optically, and photocatalytically. The morphologies of the thin films are found to be arrays of very thin and closely packed columnar structures, while the OAD films are well-aligned nanorod arrays. All films were determined to be in the hematite phase (α-Fe2O3), as confirmed by both structural and optical characterization.
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