ABSTRACT
High-performance nanosized optoelectronic devices based on van der Waals (vdW) heterostructures have significant potential for use in a variety of applications. However, the investigation of nanoribbon-based vdW heterostructures are still mostly unexplored. In this study, based on first-principles calculations, we demonstrate that a Sb2S3/Sb2Se3 vdW heterostructure, which is formed by isostructural nanoribbons of stibnite (Sb2S3) and antimonselite (Sb2Se3), possesses a direct band gap with a typical type-II band alignment, which is suitable for optoelectronics and solar energy conversion. Optical absorption spectra show broad profiles in the visible and UV ranges for all of the studied configurations, indicating their suitability for photodevices. Additionally, in 1D nanoribbons, we see sharp peaks corresponding to strongly bound excitons in a fashion similar to that of other quasi-1D systems. The Sb2S3/Sb2Se3 heterostructure is predicted to exhibit a remarkable power conversion efficiency (PCE) of 28.2%, positioning it competitively alongside other extensively studied two-dimensional (2D) heterostructures.
ABSTRACT
This work presents the synthesis of SiO2/Nb2O5 and SiO2/ZnS heterostructures using the microwave-assisted hydrothermal (MAH) method, which is fast and has low temperature. The silica used in the synthesis was obtained by burning the rice husk without any pre- or post-treatments. The obtained samples were characterized using various techniques such as X-ray diffraction (XRD), energy-dispersive X-ray analysis (EDX), scanning electron microscopy (SEM), Fourier transform infrared (FTIR), and UV-visible. The obtained silica was found to be amorphous, and the materials used for modification showed characteristic of the type of synthesis used. SEM images showed that Nb2O5 and ZnS interacted with the SiO2 surface, filling the voids. In the photocatalytic process, the heterostructures showed enhanced decolorization efficiency for dyes such as rhodamine B (RhB) and methylene blue (MB) compared to SiO2. For RhB, the silica decolorized approximately 24%, and for MB, it discolored approximately 27%; SiO2/Nb2O5 showed 91.24% decolorization efficiency for RhB and 72.77% MB, while SiO2/ZnS showed approximately 96% for RhB and 100% for MB. All samples were tested under the same conditions. This demonstrates that the use of rice husk residue not only improves the photocatalytic activity of heterostructures but also promotes the utilization of improperly discarded residues.
Subject(s)
Oryza , Silicon Dioxide , Silicon Dioxide/chemistry , Niobium/chemistry , Zinc CompoundsABSTRACT
The effects of the monovacancies of oxygen (VO) and manganese (VMn) on the structural and electronic properties of the 1T−MnO2/graphene heterostructure are investigated, within the framework of density functional theory (DFT). We found that the values of the formation energy for the heterostructure without and with vacancies of VO and VMn were −20.99 meVÅ2 , −32.11meVÅ2, and −20.81 meVÅ2, respectively. The negative values of the formation energy indicate that the three heterostructures are energetically stable and that they could be grown in the experiment (exothermic processes). Additionally, it was found that the presence of monovacancies of VO and VMn in the heterostructure induce: (a) a slight decrease in the interlayer separation distance in the 1T−MnO2/graphene heterostructure of ~0.13% and ~1.41%, respectively, and (b) a contraction of the (Mn−O) bond length of the neighboring atoms of the VO and VMn monovacancies of ~2.34% and ~6.83%, respectively. Calculations of the Bader charge for the heterostructure without and with VO and VMn monovacancies show that these monovacancies induce significant changes in the charge of the first-neighbor atoms of the VO and VMn vacancies, generating chemically active sites (locales) that could favor the adsorption of external atoms and molecules. From the analysis of the density of state and the structure of the bands, we found that the graphene conserves the Dirac cone in the heterostructure with or without vacancies, while the 1T−MnO2 monolayer in the heterostructures without and with VO monovacancies exhibits half-metallic and magnetic behavior. These properties mainly come from the hybridization of the 3d−Mn and 2p−O states. In both cases, the heterostructure possesses a magnetic moment of 3.00 µß/Mn. From this behavior, it can be inferred the heterostructures with and without VO monovacancies could be used in spintronics.
ABSTRACT
ZnO/ZnS heterostructures have emerged as an attractive approach for tailoring the properties of particles comprising these semiconductors. They can be synthesized using low temperature sol-gel routes. The present work yields insight into the mechanisms involved in the formation of ZnO/ZnS nanostructures. ZnO colloidal suspensions, prepared by hydrolysis and condensation of a Zn acetate precursor solution, were allowed to react with an ethanolic thioacetamide solution (TAA) as sulfur source. The reactions were monitored in situ by Small Angle X-ray Scattering (SAXS) and UV-vis spectroscopy, and the final colloidal suspensions were characterized by High Resolution Transmission Electron Microscopy (HRTEM). The powders extracted at the end of the reactions were analyzed by X-ray Absorption spectroscopy (XAS) and X-ray diffraction (XRD). Depending on TAA concentration, different nanostructures were revealed. ZnO and ZnS phases were mainly obtained at low and high TAA concentrations, respectively. At intermediate TAA concentrations, we evidenced the formation of ZnO/ZnS heterostructures. ZnS formation could take place via direct crystal growth involving Zn ions remaining in solution and S ions provided by TAA and/or chemical conversion of ZnO to ZnS. The combination of all the characterization techniques was crucial to elucidate the reaction steps and the nature of the final products.