The development of ecofriendly fabrication phenomenon is essential requirement for commercialization of non-fullerene acceptors. Recently, end-capped modeling is employed for computational design of five non-fullerene acceptors to elevate various photovoltaic properties. All new molecules are formulated by altering the peripheral acceptors of CH-2F and DFT methodology is employed to explore the opto-electronic, morphological and charge transfer analysis.
View Article and Find Full Text PDFContext: For the advancement in fields of organic and perovskite solar cells, various techniques of structural alterations are being employed on previously reported chromophores. In this study, the end-capped engineering is carried out on DBT-4F (R) by modifying terminal acceptors to improve optoelectronic and photovoltaic attributes. Seven molecules (AD1-AD7) are modeled using different push-pull acceptors.
View Article and Find Full Text PDFIn the current quantum chemical study, indacenodithiophene donor core-based the end-capped alterations of the reference chromophore BTR drafted eight A2-A1-D-A1-A2 type small non-fullerene acceptors. All the computational simulations were executed under MPW1PW91/6-31G (d, p) level of DFT. The UV-Vis absorption, open circuit voltage, electron affinity, ionization potential, the density of states, reorganization energy, orbital analysis, and non-covalent interactions were studied and compared with BTR.
View Article and Find Full Text PDFEssential oils are natural plant products that are very interesting, as they are important sources of biologically active compounds. They comprise eco-friendly alternatives to mosquito vector management, particularly essential oil nanoemulsion. Therefore, the aim of this study is to evaluate the effectiveness of 16 selected essential oils (1500 ppm) in controlling mosquitoes by investigating their larvicidal effects against the larvae and adults of the West Nile virus vector L.
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