Using Density Functional Theory (DFT) calculations, we explored the electronic band structure and contact type (Schottky and Ohmic) at the interface of VS-BGaX (X = S, Se) metal-semiconductor (MS) van der Waals heterostructures (vdWHs). The thermal and dynamical stabilities of the investigated systems were systematically validated using energy-strain analysis, molecular dynamics (AIMD) simulations, as well as binding energy and phonon spectrum calculations. After analyzing the band structure, VS-BGaX (X = S, Se) MS vdWHs metallic behavior with type-III band alignment is revealed.
View Article and Find Full Text PDFIn this study, detailed experimental investigations of the passively -switched (PQS) erbium-doped fiber laser (EDFL) were reported based on nickel ferrite (-) thin-film saturable absorber (SA). The - nanoparticles (NPs) were synthesized using a sol-gel autocombustion mechanism, and its thin film was prepared in polyvinyl alcohol (PVA) via the solution casting method. The crystallographic structure, surface morphology, and particle size of - NPs were characterized using the X-ray diffraction (XRD) technique, high-resolution transmission electron microscopy (HR-TEM), and scanning electron microscopy (SEM).
View Article and Find Full Text PDFPerovskite compounds have been well explored, and they are suitable for solar energy as well as thermoelectric applications. Herein, we present the structural, electronic, optical, thermoelectric, and elastic properties of CsAgSbX (X = Cl, Br, and I) perovskites with the help of density functional theory (DFT). The Wu-Cohen generalized gradient approximation (WC-GGA) and Perdew-Burke-Ernzerhof GGA (PBE-GGA) were used to calculate the structural parameters.
View Article and Find Full Text PDFWe report passively Q-switched pulse operation through an erbium-doped fiber laser (EDFL) utilizing graphene oxide/titania (GO/TiO) nanorods as a saturable absorber. The GO/TiO nanorods were fabricated using a Sol-gel-assisted hydrothermal method. The optical and physical characterization of the GO/TiO was then characterized using a field-emission-scanning electron microscope (FE-SEM), energy-dispersive X-ray spectroscopy (EDS), and diffuses reflectance spectroscopy (DRS).
View Article and Find Full Text PDFImproving ligand-to-active metal charge transfer (LAMCT) by finely tuning the organic ligand is a decisive strategy to enhance charge transfer in metal organic frameworks (MOFs)-based catalysts. However, in most MOFs loaded with active metal catalysts, electron transmission encounters massive obstacle at the interface between the two constituents owing to poor LAMCT. Herein, amines (-NH) functionalized MOFs (NH-MIL-101(Cr)) encapsulated active metal Pt nanoclusters (NCs) catalysts are synthesized by the polyol reduction method and utilized for the photoreduction of CO.
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