Combined experimental and theoretical study of poly(aniline-co-pyrrole) oligomer

Quantum mechanical calculations are performed to establish the structure of an oligomer of aniline and pyrrole [Poly(Ani-co-Py)], through comparison of experimental and theoretically calculated properties, including conductivity. The copolymer was synthesized through chemical oxidative polymerization and then confirmed from the experimental IR, UV-vis, mass spectra, elemental, XRD, TGA, and SEM analysis. Quantum mechanical calculations are performed at Density Functional Theory (DFT) and Time dependent DFT (TD-DFT) methods for the electronic and spectroscopic properties of the oligomer. A very nice correlation is found between the theory and experiment which consequences the structure of Poly(Ani-co-Py). Poly(Ani-co-Py) is not explored like other conducting polymers; however, by tuning this molecular structure, the electro-active nature of this material can be enhanced adequately

A new route to control texture of materials: Nanostructured ZnFe2O4 photoelectrodes

Studies were conducted to investigate the influence of deposition solution composition (methanol ≤ the deposition solvent ≤ ethanol) on their physical and chemical properties that matters in the aerosol formation and subsequent decomposition during the aerosol assisted chemical vapour deposition (AACVD) of ZnFe2O4 electrodes. The FEGSEM studies found that the change of composition of deposition solution produced a dramatic change in the ZnFe2O4 electrode texture. The ZnFe2O4 electrodes deposited from methanol as well as predominately methanolic solvents had a relatively compact morphology. In contrast, the electrodes deposited from ethanol as well as predominately ethanolic solvents showed highly textured rod-like structure at nanoscale. The change in electrode texture is explained in terms of changes occurred in precursor decomposition pathways from heterogeneous and homogeneous when the composition of deposition solution is systematically varied. The photoelectrochemical (PEC) properties of all ZnFe2O4 electrodes were studied by recording JeV characteristics under AM1.5 illumination and the photocurrent spectra. The textured electrodes exhibited a significantly higher photocurrent compared to their compact counterparts. This is attributed to the improved photogenerated minority carrier collection at the ZnFe2O4/electrolyte interface as the average feature size gradually decreased. The photocurrent density (at 0.25 V vs. Ag/AgCl/3M KCl) increases rapidly when the electrode is deposited from the solvent containing 60% ethanol and above, which is in close agreement with the textural changes taken place in ZnFe2O4 electrodes.Web of Scienc

Recent progress in two dimensional Mxenes for photocatalysis: a critical review

Transition metal carbides and nitrides, generally known as MXenes have emerged as an alternative to improve photocatalytic performance in renewable energy and environmental remediation applications because of their high surface area, tunable chemistry, and easily adjustable elemental compositions. MXenes have many interlayer groups, surface group operations, and a flexible layer spacing that makes them ideal catalysts. Over 30 different members of the MXenes family have been explored and successfully utilized as catalysts. Particularly, MXenes have achieved success as a photocatalyst for carbon dioxide reduction, nitrogen fixation, hydrogen evolution, and photochemical degradation. The structure of MXenes and the presence of hydrophilic functional groups on the surface results in excellent photocatalytic hydrogen evolution. In addition, MXenes’ surface defects provide abundant CO2 adsorption sites. Moreover, their highly efficient catalytic oxidation activity is a result of their excellent two-dimensional nanomaterial structure and high-speed electron transport channels. This article comprehensively discusses the structure, synthesis techniques, photocatalytic applications (i.e. H2 evolution, N2 fixation, CO2 reduction, and degradation of pollutants), and recyclability of MXenes. This review also critically evaluates the MXene-based heterostructure and composites photocatalyst synthesis process and their performance for organic pollutant degradation. Finally, a prospect for further research is presented in environmental and energy sciences

New insights into Se/BiVO4 heterostructure for photoelectrochemical water splitting: a combined experimental and DFT study

This is the author accepted manuscript. The final version is available from the publisher via the DOI in this record.Monoclinic clinobisvanite BiVO4 is one of the most promising materials in the field of solar water splitting due to its band gap and suitable VBM position. We have carried out a comprehensive experimental and periodic density functional theory (DFT) simulations of BiVO4 heterojunction with Selenium (Se/BiVO4), to understand the nature of heterojunction. We have also investigated contribution of Se to higher performance by effecting morphology, light absorption and charge transfer properties in heterojunction. Electronic properties simulations of BiVO4 shows that its VBM and CBM are comprised of O 2p and V 3d orbitals, respectively. The Se/BiVO4 heterojunction has boosted the photocurrent density by three fold from 0.7 to 2.2 mAcm-2 at 1.3 V vs. SCE. The electrochemical impedance and Mott-Schottky analysis consequence favorable charge transfer characteristics which account for the higher performance in Se/BiVO4 compared to the BiVO4 and Se. Finally, spectroscopic, photoelectrochemical and DFT evident that Se makes a direct Z-scheme (band alignments) with BiVO4 where the photoexcited electron of BiVO4 recombine with the VB of Se, consequences electron-hole separation at Se and BiVO4, respectively as a result enhanced photocurrent is obtained.The authors would like to thank the National University of Malaysia for the financial support from grants GUP-2016-089. One of us (H.U) acknowledges the NOTUR supercomputing facilities within the project nn4608

Performance Improvement of a CPV System: Experimental Investigation into Passive Cooling with Phase Change Materials

High temperature and overheating of photovoltaic panels lead to efficiency losses and eventual degradation. For solar PV systems, this is a significant impediment for achieving economic viability. In this study, a novel Window-Integrated Concentrated Photovoltaic (WICPV) system is proposed for window integration. This offers high (50%) transparency and is fabricated and characterised indoors at an irradiance of 1000 Wm−2. Its electrical performance is tested (a) without applied cooling (i.e., under natural ventilation) and (b) with a heat sink to accommodate passive cooling media. The results are compared to study the effects of reduction in operating temperature on system performances. The effectiveness of a sensible cooling medium (water) and two latent heat removal media, phase change materials (or PCMs, RT50 and RT28HC), is investigated. This paper reports the passive temperature regulation of this WICPV at ambient testing conditions. The results demonstrate an increase in electrical power output by (i) 17% (RT28HC), (ii) 19% (RT50), and (iii) 25 % (circulating water) compared with the naturally ventilated system. This shows that PCMs are considerably useful for thermal regulation of the WICPV. Any improvement in efficiencies will be beneficial for increasing electrical energy generation and reducing peak energy demands

A review of toolkits and case definitions for detecting enteric fever outbreaks in Asian and African countries from 1965-2019

Background: This review assessed the case definitions, diagnostic criteria, antimicrobial resistance, and methods used for enteric fever outbreaks and utilization of any unified outbreak score or checklist for early identification and response in Asia and Africa from 1965-2019.Methods: We searched enteric fever outbreaks using PubMed, Google Scholar, and the Cochrane library. Studies describing a single outbreak event of enteric fever in Asia and Africa from 1965-2019 were reviewed. We excluded case reports, letter to editors, studies reporting typhoid in conjunction with other diseases, the Centers for Disease Control and Prevention (CDC) trip reports, the World Health Organization (WHO) bulletins report, data from mathematical modeling and simulation studies, reviews and ProMed alert. Also, non-typhoidal salmonella outbreaks were excluded.Results: A total of 5063 articles were identified using the key terms and 68 studies were selected for data extraction. Most (48, 71%) outbreaks were from Asian countries, 20 (29%) were reported from Africa. Only 15 studies reported the case definition used for case identification during an outbreak and 8 of those were from Asia. A third (20, 29%) of the studies described antibiotic resistance pattern. 43 (63%) studies contained information regarding the source of the outbreak. Outcomes (hospitalization and deaths) were reported in a quarter of studies. Only 23 (29%) of the studies reported outbreak control strategies while none reported any unified outbreak score or a checklist to identify the outbreak.Conclusion: This review highlights the variability in detection and reporting methods for enteric fever outbreaks in Asia and Africa. No standardized case definitions or laboratory methods were reported. Only a few studies reported strategies for outbreak control. There is a need for the development of a unified outbreak score or a checklist to identify and report enteric fever outbreaks globally

Simulation of future global warming scenarios in rice paddies with an open-field warming facility

To simulate expected future global warming, hexagonal arrays of infrared heaters have previously been used to warm open-field canopies of upland crops such as wheat. Through the use of concrete-anchored posts, improved software, overhead wires, extensive grounding, and monitoring with a thermal camera, the technology was safely and reliably extended to paddy rice fields. The system maintained canopy temperature increases within 0.5°C of daytime and nighttime set-point differences of 1.3 and 2.7°C 67% of the time

Microwave-assisted transesterification of Litchi chinensis seed oil using extracted KOH from potato waste for sustainable development

The fast depletion of conventional fuel supplies has forced the world to find suitable substitutes to overcome the expected energy crisis. Fossil fuels also contribute to global warming because of their harmful emissions. Biofuels are sustainable and environment friendly. Biodiesel can be sourced from both edible and non-edible oils to replace fossil fuels. To avoid a shortage of food supply, it is preferred to produce biodiesel from non-edible oils. In this research, Litchi chinensis seed oil (LSO) is used as a feedstock to synthesize biodiesel employing transesterification using a microwave oven. The catalyst, potassium hydroxide (KOH), used in this research was extracted from potato waste. Sun-dried potato waste was converted into ash. The produced ash is then dissolved in distilled water, leading to a 34% yield of KOH. The transesterification achieves a 92.9% conversion rate under the conditions: 30% microwave power utilization, a catalyst loading of 15% (W/W), a stirring speed of 700 RPM, and a methanol concentration of 70% (V/V) with an 8-min reaction time. Response surface methodology (RSM), in comparison with artificial neural networks (ANNs), has been utilized for the optimization of biodiesel yield, giving efficient results with errors of 0.003% for RSM and 0.005% for ANN. Consequently, the study reports optimized biodiesel yields of 92.9% (experimental), 93.27% (RSM), and 92.40% (ANN). Physicochemical properties such as kinematic viscosity (4.4 mm2/s) at 40°C, density (875 kg/m3) at 15°C, cetane number (53.2), calorific value (38.8 MJ/kg), flash point (175°C), oxidative stability (6.1 h), and cold flow properties were determined with respect to the ASTM and EN standards. The findings reveal that biofuels primarily support Sustainable Development Goals (SDGs) 7 and 13, with the prime focus on “affordable and clean energy” and “climate action,” respectively