On the Quantum Confinement Effects in Ultrathin PdO Films by Experiment and Theory

Radio frequency magnetron sputtering conducted in a high vacuum with a base pressure of 1×10−6 mbar was used to deposit ultrathin palladium films on Corning glass. The thickness of these films ranged from 0.4 to 13 nanometers. PdO films were produced after being post-annealed in a furnace at temperatures of 530 degrees Celsius in the presence of air. The results of an atomic force microscopy study showed that the material possessed a high crystalline quality with a low roughness. When looking at Tauc plots to determine the position of the direct optical band gap, the thicker films show a value that is relatively close to 2.2 eV. When the film thickness was reduced all the way down to 0.7 nm, a significant “blue shift” of more than 0.5 eV was observed. In order to provide a more in-depth understanding of the experiment, theoretical calculations based on the Hartree–Fock approximation as applied to an electron-hole system were performed in the framework of the effective mass approximation. The findings are regarded as empirical proof of the existence of quantum confinement effects

Structural and Electronic Properties of Small Perovskite Nanoparticles of the Form ABX3 (A = MA, DEA, FA, GA, B = Pb, Sn, X = Cl, Br, I)

Using a combination of first principles and semiempirical calculation, we explore the structural, electronic, and optical properties of a wide range of perovskite (ABX3) nanoparticle of different size and composition. The variations of the BX3 backbone structure considered include all possible combinations of the cations B=Pb,Sn and the anions X=Cl,Br,I, while the interstitial cation A is either methylamonium (MA), or formamidinium (FA), or guanidine amine (GA), or dimethylamine (DEA). Our results indicate that the orientational disorder of the A moieties may affect the structural and electronic properties of the NPs while the optical properties exhibit a clear dependence on the NPs’ size and the types of B cations and X anions, but they are quite insensitive to the type of A cation

A Study of Quantum Confinement Effects in Ultrathin NiO Films Performed by Experiment and Theory

Ultrathin NiO films in the thickness range between 1 and 27 nm have been deposited on high-quality quartz substrates by direct magnetron sputtering under a rough vacuum with a base pressure of 2 × 10−2 mbar. The sputtering target was metallic Ni; however, due to the rough vacuum a precursor material was grown in which most of Ni was already oxidized. Subsequent short annealing at temperatures of about 600 °C in a furnace in air resulted in NiO with high crystallinity quality, as atomic force microscopy revealed. The images of surface morphology showed that the NiO films were continuous and follow a normal grain growth mode. UV-Vis light absorption spectroscopy experiments have revealed a blue shift of the direct band gap of NiO. The band gap was determined either by Tauc plots (onset) or by the derivative method (highest rate of absorbance increase just after the onset). The experimental results are interpreted as evidences of quantum confinement effects. Theoretical calculations based on Hartree Fock approximation as applied for an electron-hole system, in the framework of effective mass approximation were carried out. The agreement between theory and experiment supports the quantum confinement interpretation

Quantum Confinement Effects of Thin <i>Co</i>₃<i>O</i>₄ Films

Thin Co films were deposited on quartz and Corning glass by radio frequency magnetron sputtering. The films were postannealed at 500 °C in a furnace in air atmosphere. The resulting samples were examined with X-ray diffraction experiments, which revealed that they consist of single-phase, polycrystalline Co3O4. The morphology of selected samples was recorded by atomic force microscopy. Ultraviolet-visible light absorption spectroscopy experiments probed the absorbance of the films in the wavelength range 200–1100 nm. Two types of transitions (energy gaps) were clearly identified. Both of them were found to be “blue shifted” with decreasing film thickness; this is interpreted as evidence of quantum confinement effects. For the case of the first gap value, this was corroborated by calculations based on a combination of the Potential Morphing Method and the effective mass approximation

Design, Energy, Environmental and Cost Analysis of an Integrated Collector Storage Solar Water Heater Based on Multi-Criteria Methodology

The paper presents a design and operation analysis of an Integrated Collector Storage (ICS) solar water heater, which consists of an asymmetric Compound Parabolic Concentrating (CPC) reflector trough, while the water tank comprises two concentric cylinders. The annulus between these vessels is partially depressurized and contains a small amount of water in the bottom of the outer vessel which dominantly contributes to the heat transfer from the outer to the inner cylinder. A multi-criteria optimization algorithm is applied to re-evaluate the design specifications of the parabolic surface, thus modifying the design of the entire ICS system and predict the necessary number of units for achieving the highest possible effectiveness with minimized fabrication costs and environmental impacts. The environmental footprint of the device is assessed through Life Cycle Assessment (LCA). The produced thermal energy in conjunction with the environmental and economic results are evaluated as a function of different configuration parameters regarding the water storage conditions, the solar radiation and the total pressure inside the annulus. The ultimate aim of the evaluation process is to offer new perspectives on the design principles of environmentally friendly and cost-effective devices with improved thermal performance

Rational Design of Tetrahedral Derivatives as Efficient Light-Emitting Materials Based on “Super Atom” Perspective

Traditional semiconductor quantum dots of groups II–VI are key ingredients of next-generation display technology. Yet, the majority of them contain toxic heavy-metal elements, thus calling for alternative light-emitting materials. Herein, we have explored three novel categories of multicomponent compounds, namely, tetragonal II-III2-VI4 porous ternary compounds, cubic I2-II3-VI4 ternary compounds, and cubic I-II-III3-V4 quaternary compounds. This is achieved by judicious introduction of a “super atom” perspective and concurrently varying the solid-state lattice packing of involved super atoms or the population of surrounding counter cations. Based on first-principles calculations of 392 candidate materials with designed crystal structures, 53 highly stable materials have been screened. Strikingly, 34 of them are direct-bandgap semiconductors with emitting wavelengths covering the near-infrared and visible-light regions. This work provides a comprehensive database of highly efficient light-emitting materials, which may be of interest for a broad field of optoelectronic applications