Theoretical Investigation of Cubic BaVO<Subscript>3</Subscript> and LaVO<Subscript>3</Subscript> Perovskites via Tran–Blaha-Modified Becke–Johnson Exchange Potential Approach

The full potential linearized augmented plane wave method of density functional theory has been used to investigate the structural, electronic, magnetic and thermoelectric properties of cubic perovskites BaVO₃ and LaVO₃. The ferromagnetic ground state has been found to be stable by comparing the total energies of non-spin-polarized and spin-polarized calculations performed for optimized unit cells. For both compounds, the bond length and tolerance factor are also measured. From the band structures and density of states plots, it is found that both compounds are half-metallic. We found that the presence of V at the octahedral site of these perovskites develops exchange splitting through p-d hybridization, which results in a stable ferromagnetic state. The observed exchange splitting is further clarified from the magnetic moment, charge and spin of the anion and cations. Finally, we also presented the calculated thermoelectric properties of these materials, which show that half-metallic BaVO₃ and LaVO₃ materials are potential contenders for thermoelectric applications.     

Insights into the Influence of Work Functions of Cathodes on Efficiencies of Perovskite Solar Cells

Though various efforts on modification of electrodes are still undertaken to improve the efficiency of perovskite solar cells, attributing to the large scope of these methods, it is of significance to unveil the working principle systematically. Herein, inverted perovskite solar cells based on indium tin oxide (ITO)/poly(3,4‐ethylenedioxythiophene) polystyrene sulfonate (PEDOT:PSS)/CH₃NH₃PbI₃/phenyl‐C61‐butyric acid methyl ester (PC₆₁ BM)/buffer metal/Al are constructed. Through the choice of different buffer metals to tune work function of the cathode, the contact nature of the active layer with the cathode could be manipulated well. In comparison with the device using Au/Al as the electrode that shows an unfavorable band bending for conducting the excited electrons to the cathode, the one with Ca/Al presents a dramatically improved efficiency over 17.1%, ascribed to the favorable band bending at the interface of the cathode with the active layer. Details for tuning the band bending and the corresponding charge transfer mechanism are given in a systematic manner. Thus, a general guideline for constructing perovskite photovoltaic devices efficiently is provided.     

Trimetallic PtCoFe Alloy Monolayer Superlattices as Bifunctional Oxygen‐Reduction and Ethanol‐Oxidation Electrocatalysts

A synthesis strategy for the preparation of trimetallic PtCoFe alloy nanoparticle superlattices is reported. Trimetallic PtCoFe alloy monolayer array of nanoparticle superlattices with a large density of high index facets and platinum‐rich surface are successfully prepared by coreduction of metal precursors in formamide solvent. The concentration of cetyl trimethyl ammonium bromide plays a vital role for the formation of a monolayer array of nanoparticle superlattices, while the size of nanoparticles is determined by NaI. The prepared monolayer array of nanoparticle superlattices is the superior catalyst for oxygen reduction reaction as well as for ethanol oxidation owing to their specific structural and compositional characteristics.     

Eco‐friendly synthesis of silver nanoparticles and its larvicidal property against fourth instar larvae of Aedes aegypti

In this study, larvicidal activity of silver nanoparticles (AgNPs) synthesised using apple extract against fourth instar larvae of Aedes aegypti was determined. As a result, the AgNPs showed moderate larvicidal effects against Ae. aegypti larvae (LC₅₀  = 15.76 ppm and LC₉₀  = 27.7 ppm). In addition, comparison of larvicidal activity performance of AgNPs at high concentration prepared using two different methods showed that Ae. aegypti larvae was fully eliminated within the duration of 2.5 h. From X‐ray diffraction, the AgNP crystallites were found to exhibit face centred cubic structure. The average size of these AgNPs as estimated by particle size distribution was in the range of 50–120 nm. The absorption maxima of the synthesised Ag showed characteristic Ag surface plasmon resonance peak. This green synthesis provides an economic, eco‐friendly and clean synthesis route to Ag.Inspec keywords: silver, nanofabrication, X‐ray diffraction, zoology, particle size, nanoparticles, biomedical materials, nanomedicineOther keywords: time 2.5 h, size 50 nm to 120 nm, silver nanoparticle, larvicidal property, instar larvae, Aedes aegypti, larvicidal effect, larvicidal activity performance, X‐ray diffraction, nanoparticle particle size distribution, absorption maxima, silver surface plasmon resonance peak     

Abiotic stress of ZnO‐PEG,ZnO‐PVP,CuO‐PEG and CuO‐PVP nanoparticles enhance growth,sweetener compounds and antioxidant activities in shoots of Stevia rebaudiana Bertoni

Nanoparticles are known to play remarkable role as abiotic stress elicitors in plants. This study reports the comparative analysis of effects produced by capped [zinc oxide (ZnO)‐polyethylene glycol (PEG), ZnO‐polyvinyl pyrrolidone (PVP), copper oxide (CuO)‐PEG, CuO‐PVP] and uncapped (ZnO and CuO) nanoparticles on the medicinal plant, Stevia rebaudiana raised in vitro for the production of commercially important sweetener compounds. In context of shoot organogenesis, ZnO‐PEG, ZnO‐PVP, CuO‐PEG, CuO‐PVP were employed to the growth medium that resulted in increased growth parameters, and larger content of steviol glycosides as compared to the shoots raised in medium containing ZnO and CuO, revealed by high‐performance liquid chromatography. In the meanwhile, non‐enzymatic antioxidant activities including total phenolic content, total flavonoid content, total antioxidant capacity, total reducing power and 2,2‐diphenyl‐1‐picryl hydrazyl‐free radical scavenging activity were calculated and showed comparatively greater amounts in shoots grown in medium containing capped ZnO or CuO nanoparticles. Furthermore, the ZnO and its derivatives revealed to be more reactive at 1 mg/l of concentration. Whereas, the CuO and its derivatives produced greater response on Stevia at 10 mg/l concentration of nanoparticles. This study paves the way for more such studies encompassing capped and uncapped nanoparticles and their ultimate effect on in‐vitro grown plant tissues for the production of active metabolites on industrial scale.Inspec keywords: nanoparticles, chromatography, resins, polymers, zinc compounds, copper compounds, food technology, agricultureOther keywords: nanoparticles, sweetener compounds, antioxidant activities, Stevia rebaudiana Bertoni, abiotic stress elicitors, zinc oxide‐polyethylene glycol, zinc oxide‐polyvinyl pyrrolidone, copper oxide‐polyethylene glycol, medicinal plant, shoot organogenesis, steviol glycosides, high‐performance liquid chromatography, nonenzymatic antioxidant activities, total phenolic content, total flavonoid content, total antioxidant capacity, total reducing power, 2,2‐diphenyl‐1‐picryl hydrazylfree radical scavenging activity, derivatives, active metabolite production, copper oxide‐polyvinyl pyrrolidone     

Green synthesised zinc oxide nanostructures through Periploca aphylla extract shows tremendous antibacterial potential against multidrug resistant pathogens

To grapple with multidrug resistant bacterial infections, implementations of antibacterial nanomedicines have gained prime attention of the researchers across the globe. Nowadays, zinc oxide (ZnO) at nano‐scale has emerged as a promising antibacterial therapeutic agent. Keeping this in view, ZnO nanostructures (ZnO‐NS) have been synthesised through reduction by P. aphylla aqueous extract without the utilisation of any acid or base. Structural examinations via scanning electron microscopy (SEM) and X‐ray diffraction have revealed pure phase morphology with highly homogenised average particle size of 18 nm. SEM findings were further supplemented by transmission electron microscopy examinations. The characteristic Zn–O peak has been observed around 363 nm using ultra‐violet–visible spectroscopy. Fourier‐transform infrared spectroscopy examination has also confirmed the formation of ZnO‐NS through detection of Zn–O bond vibration frequencies. To check the superior antibacterial activity of ZnO‐NS, the authors'' team has performed disc diffusion assay and colony forming unit testing against multidrug resistant E. coli, S. marcescens and E. cloacae. Furthermore, protein kinase inhibition assay and cytotoxicity examinations have revealed that green fabricated ZnO‐NS are non‐hazardous, economical, environmental friendly and possess tremendous potential to treat lethal infections caused by multidrug resistant pathogens.Inspec keywords: nanomedicine, zinc compounds, II‐VI semiconductors, wide band gap semiconductors, nanoparticles, scanning electron microscopy, X‐ray diffraction, antibacterial activity, transmission electron microscopy, particle size, Fourier transform infrared spectra, ultraviolet spectra, visible spectra, enzymes, biochemistry, molecular biophysics, microorganisms, drugs, toxicology, bonds (chemical), semiconductor growth, nanofabrication, vibrational modesOther keywords: green synthesised zinc oxide nanostructures, Periploca aphylla extract, antibacterial potential, multidrug resistant pathogens, multidrug resistant bacterial infections, antibacterial nanomedicines, P. aphylla aqueous extract, structural examinations, scanning electron microscopy, X‐ray diffraction, pure phase morphology, homogenised average particle size, SEM, transmission electron microscopy, Fourier‐transform infrared spectroscopy, bond vibration frequency, antibacterial activity, disc diffusion assay, colony forming unit testing, S. marcescens, E. cloacae, E. coli, ultraviolet‐visible spectroscopy, protein kinase inhibition assay, cytotoxicity, lethal infections, ZnO     

Efficient and 1,8-diiodooctane-free ternary organic solar cells fabricated via nanoscale morphology tuning using small-molecule dye additive

The ternary strategy for incorporating multiple photon-sensitive components into a single junction has emerged as an effective method for optimizing the nanoscale morphology and improving the device performance of organic solar cells (OSCs).In this study,efficient and stable ternary OSCs were achieved by introducing the small-molecule dye (5E,5'E)-5,5'-(4',4″-(1,2-diphenylethene-1,2-diyl)bis(biphenyl-4',4-diyl))bis(methan-1-yl-1-ylidene)bis(3-ethyl-2-thioxothia zolidin-4-one) (BTPERn) into poly[4,8-bis(5-(2-ethylhexyl)thiophen-2-yl)benzo[1,2-b:4,5-b']dithiopheneco-3-fluorothieno[3,4-b]thiophene-2-carboxylate] (PTB7-Th):[6,6]-phenyl C71 butyric acid methyl ester (PC71BM) blend films processed using a 1,8-diiodooctane (DIO)-free solvent.The incorporation of BTPE-Rn enhanced the short-circuit current density and fill factor of the ternary OSCs compared with those of binary OSCs.An investigation of the optical,electronic,and morphological properties of the ternary blends indicated that the third component of BTPE-Rn not only promoted the photon utilization of blends through the energy-transfer process but also improved the electron mobility of the blends owing to the fullerene-rich nanophase optimization.More importantly,this ternary strategy of utilizing a small-molecule dye to replace the photounstable DIO additive enhanced the operational stability of the OSCs.     

Interface evolution in the platelet-like SiC@C and SiC@SiO<Subscript>2</Subscript> monocrystal nanocapsules

Carbon-coated SiC@C nanocapsules (NCs) with a hexagonal platelet-like morphology were fabricated by a simple direct current (DC) arc-discharge plasma method.The SiC@C NCs were monocrystalline,120-150 nm in size,and approximately 50 nm thick.The formation of the as-prepared SiC@C NCs included nucleation of truncated octahedral SiC seeds and subsequent anisotropic growth of the seeds into hexagonal nanoplatelets in a carbon-rich atmosphere.The disordered carbon layers on the SiC@C NCs were converted into SiO2 shells of SiC@SiO2 NCs by heat treatment at 650 ℃ in air,during which the shape and inherent characteristics of the crystalline SiC core were obtained.The interface evolution from carbon to SiO2 shells endowed the SiC@SiO2 NCs with enhanced photocatalytic activity due to the hydrophilic and transparent nature of the SiO2 shell,as well as to the photosensitive SiC nanocrystals.The band gap of the nanostructured SiC core was determined to be 2.70 eV.The SiC@SiO2 NCs degraded approximately 95％ of methylene blue in 160 min under visible light irradiation.     

Low-Dimensional Halide Perovskites and Their Advanced Optoelectronic Applications

Nano-Micro Letters - A NiFe2O4/expanded graphite (NiFe2O4/EG) nanocomposite was prepared via a simple and inexpensive synthesis method. Its lithium storage properties were studied with the goal of...