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Hydrothermal reduction was used to synthesise NiCo2S4 nanoparticles anchored on reduced graphene oxide (NiCo2S4@RGO), which were then employed as the counter electrode (CE) in dye-sensitised solar cells (DSSC), as detailed in this paper. Graphene nanosheets have a highly scattered distribution of NiCo2S4 nanoparticles, as seen by scanning electron microscopy and transmission electron microscopy. The iodide/triiodide redox reaction shows great promise when this novel nanostructure is used to enhance electrocatalytic performance via a synergistic impact. Researchers found that the electrocatalytic activity of NiCo2S4 nanostructures was enhanced by the synergistic interaction of nickel and cobalt ions with the highly electrically conductive RGO networks. The enhanced conductivity of rGO and the increased number of octahedral catalytic active sites of Co3+ in NiCo2S4 inverse spinel crystal structure are likely the causes of their synergistic action. A dye-sensitised solar cell utilising a NiCo2S4@RGO composite counter electrode achieves a conversion efficiency of 8.5% when exposed to AM 1.5 simulated solar light (100 mWcm−2), an efficiency that is on par with that of a cell based on a Pt electrode (7.1%) and significantly higher than devices utilising NiCo2S4 (7.3%) and RGO (3.1%). The recently created NiCo2S4 counter electrodes are formidable competitors for potential dye-sensitised solar cell uses due to their novel production method, reasonable price, and outstanding electrocatalytic properties. [ABSTRACT FROM AUTHOR]

Binary transition metal oxides (BTMOs) could be used in supercapacitors because they are active and have a big theoretical capacity. Here, we investigate a zinc-and-iron BTMO in its pure and hybrid forms, i.e., as ZnFe2O4 nanorods and as ZnFe2O4 nanorods on reduced graphene oxide (rGO). After the chemicals were made, they were explored using a variety of analytical methods. Electrochemical analysis was employed to study how well the nanoengineered goods worked as supercapacitor electrodes. The galvanostatic charge–discharge, cyclic voltammetry and electrochemical impedance spectroscopy results showed that the electrodes produced have a huge amount of promise for use in supercapacitors. The specific capacitance of ZnFe2O4@rGO was found to be 1720 F g−1 with cyclic stability of 93% after 5000 cycles. Electrochemical studies showed that adding rGO increased the electrodes' specific conductance and improved the discharge time and cycle stability. This is due to lot of surface area and carried electricity well. The higher capacitance of the ZnFe2O4@rGO electrode shows excellent capacitive behaviour. So, this molecule could be a good way for energy storage applications. [ABSTRACT FROM AUTHOR]

In this work, we report the fabrication of binary semiconductor heterojunctions comprising of N-doped TiO2 nanotubes loaded with two-dimensional MoS2 nanosheets using a facile hydrothermal synthesis method. The photocatalysts were characterized by XRD, SEM, TEM, Raman, UV and PL studies. The results indicated that nitrogen was successfully doped as interstitial doping in TiO2 lattices and simultaneously coupled with MoS2 to form the heterojunction nanostructure. Under visible light irradiation, the N-doped TiO2@MoS2 photocatalyst exhibited outstanding photocatalytic activity and high stability for hydrogen production, with a high H2-generation rate of 5645 mmol h−1 g−1. The heterojunctions' enhanced photocatalytic activity is due to the synergistic impact of N doping of TiO2 and loading of MoS2, which results in greater visible light absorption, effective separation of photo generated charge carriers, and fast charge transfer to catalyst surface. [ABSTRACT FROM AUTHOR]

In the present work, the 1-Benzyl-3-[2-(3-(4-chlorophenyl)-5-[4-(propan-2-yl)phenyl]-4,5-dihydro-1H-pyrazol-1-yl)-4-oxo-4,5-dihydro-1,3-thiazol-5(4H)-ylidene]-2,3-dihydro-1H-indol-2-one (BCPOT) anticancer candidates to treatment of breast cancer based on B3LYP level 6-31G(d,p) and LanL2DZ basis sets calculations and molecular docking. BCPOT have been proposed as potential stabilization energies, and topological properties have been evaluated as a function of acceptors and donor groups present in their structures. Detailed interpretation of the vibrational spectral assignments has been carried out using the Potential energy distribution (PED) analysis. The evaluation of the Fukui functions has also been carried out to describe the activity of the sites in the title compound. The non-covalent interaction (NCI) of the molecule has been explained by a reduced density gradient. Molecular electrostatic potential explains the nucleophilic and electrophilic reaction of the molecule. Molecular orbital interaction has been explained by Frontier molecular orbitals. For a better prediction of the anticancer properties of the proposed compound, molecular docking calculations are performed by using four structures of breast cancer activity. Docking results have been discussed based on binding affinities and the interaction types among ligands and different amino acid residues, indicating the powerful ability of ligands in front of the novel cancer disease. [ABSTRACT FROM AUTHOR]