KNbO photoelectrode for DSSC: a structural, optical and electrical approach.

In this work, we present the potassium niobate (KNbO) nanoparticles as a suitable mesoporous photoelectrode for dye-sensitized solar cells (DSSCs). The KNbO particles were synthesized by the microwave-assisted hydrothermal method using mild conditions and characterized by SEM, XRD, Raman, and UV-Vis diffuse reflectance. The particles presented a pyramidal tower-like shape with an orthorhombic structure and an indirect bandgap of (3.

Low recombination rates and improving charge transfer as decisive conditions for high current densities and fill factors in ZnS complex systems.

The growth of ZnS photoelectrodes on ZnO particles identified as ZnO/ZnS(ZC + TAA) by the microwave-assisted hydrothermal method showed excellent photovoltaic parameters of = 1.2 mA cm and FF = 0.66, even compared to ZnS(ZC + TAA) used as a reference sample with = 0.

Properties of zinc titanates synthesized by microwave assisted hydrothermal method.

Zinc titanates are compounds that have shown great application versatility, including in the field of semiconductors. Solid state reactions, the polymeric precursor method and the hydrothermal method are the most mentioned synthesis of these compounds in the literature. In the present work, we use microwave assisted hydrothermal method (MAH) to synthesize zinc titanate and evaluate its potential for solar cell applications through structural and optical characterization techniques.

Influence of Eu valence on the optical activity of BaTiO decorated with CaF synthesized by microwave-assisted hydrothermal method.

Inorganic hybrid materials have promising applications in absorbers and for the photon harvesting of solar irradiation, such as in DSSC photoanodes. Moreover, investigation of the interactions between the photoanode constituent materials is extremely important, since it is known that the properties of the materials are strongly dependent on the nucleation and growth process. Therefore, the purpose of this work was to synthesize a system consisting of a synergic combination of two inorganic hosts, BaTiO and CaF, synthesized together through a microwave-assisted hydrothermal method, which allows single-phase materials to be obtained after short synthesis times and at low temperatures.

Structural and Electronic Properties of Bulk ZnX (X = O, S, Se, Te), ZnF, and ZnO/ZnF: A DFT Investigation within PBE, PBE + , and Hybrid HSE Functionals.

Here, we have studied the crystalline structure of bulk ZnX (X = O, S, Se, Te) and ZnF systems as a first step to understand the structures like ZnX and Zn-based systems like ZnO/ZnF interfaces, which are of utmost importance for possible technological applications. In addition, an adequate methodological description based on density functional theory (DFT) calculations is necessary. It is well known that plain DFT calculations based on local or semilocal exchange-correlation functionals fail to describe the correct band gap energy for these systems, whereas nonlocal approaches, such as hybrid-based functionals, can compensate the underestimation of band gap.

Quantitative evaluation of the surface stability and morphological changes of CuO particles.

CuO low-index surfaces periodic models have been simulated based on density functional theory. The calculated surfaces energies allowed estimating the morphology by means of the Wulff theorem as well as the investigation of possible paths of morphological changes. Therefore, systematic morphology diagrams and change paths according to the energy modulation in relation to the surfaces stabilizations were elaborated.

Unveiling the efficiency of microwave-assisted hydrothermal treatment for the preparation of SrTiO mesocrystals.

Material processing has become essential for the proper control, tuning and consequent application of the properties of micro/nanoparticles. In this case, we report herein the capability of the microwave-assisted hydrothermal (MAH) method to prepare the SrTiO3 compound, as a case study of inorganic compounds. Analyses conducted by X-ray diffraction, X-ray photoelectron and X-ray absorption spectroscopies confirmed that the MAH route enables the formation of pristine SrTiO3.

Band alignment and charge transfer predictions of ZnO/ZnX (X = S, Se or Te) interfaces applied to solar cells: a PBE+U theoretical study.

The engineering of semiconductor materials for the development of solar cells is of great importance today. Two topics are considered to be of critical importance for the efficiency of Grätzel-type solar cells, the efficiency of charge separation and the efficiency of charge carrier transfer. Thus, one research focus is the combination of semiconductor materials with the aim of reducing charge recombination, which occurs by spatial charge separation.

Functionalized pink AlO:Mn pigments applied in prosthetic dentistry.

Statement Of Problem: The color of dental poly(methyl methacrylate) (PMMA) is conventionally rendered by organic and inorganic pigments, which are usually not bonded to the polymer network. Functionalized ceramic pigments can be used to color PMMA, allowing improved chemical interaction with the resin matrix.

Purpose: The purpose of this in vitro study was to synthesize, functionalize, and characterize pink manganese-doped alumina ceramic pigments.

Fingerprints of short-range and long-range structure in BaZr(1-x)HfxO3 solid solutions: an experimental and theoretical study.

A microwave-assisted hydrothermal method was applied to synthesize BaZr1-xHfxO3, (BZHO) solid solutions at a low temperature, 140 °C, and relatively short times, 160 min. The detailed features of the crystal structure, at both short and long ranges, as well as the crystal chemistry doping process, are extensively analysed. X-ray diffraction measurements and Raman spectroscopy have been used to confirm that pure and Hf-doped BZO materials present a cubic structure.

Long-range and short-range structures of cube-like shape SrTiO3 powders: microwave-assisted hydrothermal synthesis and photocatalytic activity.

We report herein a detailed study on the influence of microwave-assisted hydrothermal (MAH) treatment time on both long and short range structures around Ti atoms of SrTiO3 powders. Few studies have been carried out on short-order structural properties as well as the relationship between the local order and the SrTiO3 photocatalytic properties. We use X-ray diffraction to determine the long-range structure, while the local environment around the Ti atom is probed with X-ray absorption spectroscopy and the vibration frequencies are investigated by Raman spectroscopy.

Joint experimental and theoretical analysis of order-disorder effects in cubic BaZrO3 assembled nanoparticles under decaoctahedral shape.

Periodic first-principles calculations based on density functional theory at the B3LYP level has been carried out to investigate the photoluminescence (PL) emission of BaZrO(3) assembled nanoparticles at room temperature. The defect created in the nanocrystals and their resultant electronic features lead to a diversification of electronic recombination within the BaZrO(3) band gap. Its optical phenomena are discussed in the light of photoluminescence emission at the green-yellow region around 570 nm.