Pressure-driven thermoelectric properties of defect chalcopyrite structured ZnGa2Te4: ab initio study.

The pressure induced structural, electronic, transport, and lattice dynamical properties of ZnGa2Te4 were investigated with the combination of density functional theory, Boltzmann transport theory and a modified Debye-Callaway model. The structural transition from I4̄ to I4̄2m occurs at 12.09 GPa. From the basic observations, ZnGa2Te4 is found to be mechanically as well as thermodynamically stable and ductile up to 12 GPa. The direct band gap of 1.01 eV is inferred from the electronic band structure. The quantitative analysis of electron transport properties shows that ZnGa2Te4 has moderate Seebeck coefficient and electrical conductivity under high pressure, which resulted in a large power factor of 0.63 mW m-1 K-2 (750 K). The ultralow lattice thermal conductivity (∼1 W m-1 K-1 at 12 GPa) is attributed to the overlapping of acoustic and optical phonon branches. As a result, the optimal figure of merit of 0.77 (750 K) is achieved by applying a pressure of 12 GPa. These findings support that ZnGa2Te4 can be a potential p-type thermoelectric material under high pressure and thus open the door for its experimental exploration.

Sono-synthesis approach of reduced graphene oxide for ammonia vapour detection at room temperature.

In this paper, we report the sono-synthesis of reduced graphene oxide (rGO) using polyethyleneimine (PEI), and its performance for ammonia vapour detection at room temperature. Graphene oxide (GO) and reduced graphene oxide (rGO) were prepared by sonication method by using low-frequency ultrasound under ambient condition and films were deposited by Doctor Blade method. The rGO, which has vapour accessible structure showed a good sensing response with a minimum detection limit of 1 ppm and the detection range from 1 ppm to 100 ppm. The sensing response was found to be 2% at 1 ppm and 34% at 100 ppm of ammonia and the developed sensor operated at room temperature. The sensor displays a response time of 6 s and a recovery time of 45 s towards 100 ppm of ammonia vapour. The source for the highly sensitive, selective and stable detection of ammonia with negligible interference from other vapours is discussed and reported. We believe reduced graphene oxide (rGO) could potentially be used to manufacture a new generation of low-power portable ammonia sensors.

Alkyd resin based hydrophilic self-cleaning surface with self-refreshing behaviour as single step durable coating.

Herein, we reported the photo-catalytic degradation/anti-bacterial property of Ag-doped ZnO nanoparticles (SDZO Nps) prepared by a facile gel-combustion technique and its self-cleaning/self-refreshing/self-disinfectant behaviour while on impregnating as pigment into the alkyd resin based coating. The influence of doping Ag (1% & 2%) with ZnO has been evaluated in terms of crystal structure, morphology, optical properties, etc. using X-ray diffraction analysis, Field Emission Scanning Electron Microscope, UV-Vis analysis, and Photoluminescence spectra. The photo-catalytic degradation of crystal violet solution by SDZO Nps is spectroscopically followed employing UV-Vis spectroscopy. From the obtained results, the rate of degradation of 1% SDZO Nps is found higher than that of other samples under sunlight illumination; degrading 1 mg of crystal violet in 30 min. Thus, implementing the synergic effect of nano ZnO and the doped Ag provides a suitable pathway for the development of high efficient photo-catalyst. Further, alkyd resin based self-cleaning coating is formulated using 1% SDZO Nps as pigment along with other additives; the contents are milled to form a homogeneous mixture by high energy ball milling technique. Crystal violet solution coated over dried alkyd coating gets decolorized on exposure to sunlight indicating the mineralization of pollutants and proves the fact that the as obtained coating possess self-cleaning nature. Besides the self-cleaning property, the coating exhibits self-refreshing property which is essential for the long lasting self-cleaning activity. Further, the disinfectant properties of 1% SDZO Nps and 1% SDZO Nps impregnated coating have been evaluated against gram negative Escherichia coli bacterial strain. The acquired experimental outcomes suggest the potential use of self-cleaning coating to keep the environment clean and hygienic economically.

Direct electrochemical reduction of hematite decorated graphene oxide (α-Fe2O3@erGO) nanocomposite for selective detection of Parkinson's disease biomarker.

An unusual approach is reported herein to fabricate magnetic hematite (α-Fe2O3) decorated electrochemically reduced graphene oxide (α-Fe2O3@erGO) nanocomposite. The method utilizes direct electrochemical reduction of self-assembled, ex-situ synthesized α-Fe2O3 anchored GO to erGO (α-Fe2O3@erGO) on glassy carbon electrode (GCE) for selective detection dopamine (DA), an important biomarker of Parkinson's disease. The formation of α-Fe2O3@erGO/GCE has been confirmed by XPS and Raman spectroscopy. α-Fe2O3@erGO modified GCE exhibits synergistic catalytic activity nearly 2.2 and 5 fold higher than α-Fe2O3@GO and other modified electrodes, respectively towards oxidation of DA. The fabricated sensor exhibited linear dynamic ranges over 0.25 - 100 µM in response to DA with a LOD of 0.024 µM (S/N = 3), LOQ of 0.08 µM (S/N = 10), and a sensitivity of 12.56 µA µM-1 cm-2. Finally, the practical analytical application of the proposed α-Fe2O3@erGO/GCE was investigated for the determination of DA in commercially available pharmaceutical formulation and human serum samples, and showed satisfactory recovery results towards DA.

Exploration of Wedelia chinensis leaf-assisted silver nanoparticles for antioxidant, antibacterial and in vitro cytotoxic applications.

Green synthetic route of silver nanoparticles (AgNPs) has already been proved to be an advantageous over other physico-chemical approaches due to its simplicity, cost effectiveness, ecofriendly and nontoxicity. In this finding, aqueous Wedelia chinensis leaf extract (WLE) mediated synthesis of AgNPs was approached. Surface plasmon resonance (SPR) band at 408 nm preliminary indicated the formation of AgNPs, while TEM and XRD characterization confirmed the formation of spherically shaped and crystalline AgNPs with an average size of 31.68 nm, respectively. The plausible biomolecules in the aqueous leaf extract responsible for the reduction and stabilization of AgNPs were identified by FTIR analysis and found to be polyphenolic groups in flavonoid. Further, synthesized AgNPs was explored for different biological applications. Biosynthesized AgNPs showed significant free radical scavenging activity as compared to Wedelia leaf extract and antibacterial activity against clinically isolated test pathogens where Gram-negative bacteria were found more susceptible to AgNPs than Gram-positive one. In addition, in vitro cytotoxic response was also evaluated on hepatocellular carcinoma Hep G2 cell lines and showed a dose-dependent cytotoxic response with an IC50 value of 25 µg/mL.

Incorporation of ZnO and their composite nanostructured material into a cotton fabric platform for wearable device applications.

The central idea of this paper is to innovate a new approach for the development of wearable device materials through the coating of cotton fabric with ZnO and Sb-/Ag-/ZnO composites. The study was designed in order to have a clear understanding of the role of ZnO as well as the modified composite thereof under investigation. Cotton fabric with uniform ZnO/ZnO-composite layers on the surface was successfully synthesized via a solvothermal method. The growth behaviors were investigated by comparing ZnO and ZnO-composites. The structural, morphological, chemical states, optical, electrical and thermopower properties of these fabrics were studied. Nanostructured ZnO-composite fabric had enhanced UV shielding with a value of 83.96. It is found that the ZnO-composite fabrics have increased electrical conductivity. The thermopower value of the ZnO-composite fabric could reach 471.9µVK-1. Such materials are anticipated to be worthwhile as wearable electronic devices and as protective textiles.