A5037474094- Nonlinear Optical Materials Research
- Crystallization and Solubility Studies
- X-ray Diffraction in Crystallography
- Organic Electronics and Photovoltaics
- Conducting polymers and applications
- Synthesis and biological activity
- Perovskite Materials and Applications
- Fullerene Chemistry and Applications
- Chemical synthesis and pharmacological studies
- Nonlinear Optical Materials Studies
- Porphyrin and Phthalocyanine Chemistry
- Crystal structures of chemical compounds
- Anaerobic Digestion and Biogas Production
- Metal complexes synthesis and properties
- Crystallography and molecular interactions
- Synthesis and Characterization of Heterocyclic Compounds
- Biofuel production and bioconversion
- Boron and Carbon Nanomaterials Research
- Crystal Structures and Properties
- Food composition and properties
- Phytochemicals and Antioxidant Activities
- Synthesis and Properties of Aromatic Compounds
- Adsorption and Cooling Systems
- Organic Chemistry Cycloaddition Reactions
- Quantum Dots Synthesis And Properties
University of Okara
2017-2025
University of Agriculture Faisalabad
2016-2024
University of Florida
2024
National University of Sciences and Technology
2022-2024
Khyber Teaching Hospital
2015-2024
Ziauddin University
2024
West Virginia University
2021-2024
Roma Tre University
2024
University of Houston
2024
HCA Healthcare
2024
This work was inspired by a previous report [Janjua, M.R.S.A. Inorg. Chem. 2012, 51, 11306−11314] in which the nonlinear optical (NLO) response strikingly improved with double heteroaromatic rings. Herein, series of triphenylamine–dicyanovinylene based donor−π–acceptor dyes had been designed structural tailoring π-conjugated linkers and theoretical descriptions their molecular NLO properties were reported. Density functional theory time-dependent density calculations performed on optimized...
Materials with nonlinear optical (NLO) properties have significant applications in different fields, including nuclear science, biophysics, medicine, chemical dynamics, solid physics, materials science and surface interface applications. Quinoline carbazole, owing to their electron-deficient electron-rich character respectively, play a role charge transfer optoelectronics. Therefore, an attempt has been made herein explore quinoline-carbazole based novel highly properties. Structural...
Nanostructured gas sensors find diverse applications in environmental and agricultural monitoring. Herein, adsorption of phosgene (COCl2) on pure copper-decorated B12N12 (Cu–BN) is analyzed through density functional theory (DFT) calculations. Adsorption copper results two optimized geometries, named Cu@b66 Cu@b64, with energies −193.81 −198.45 kJ/mol, respectively. The adsorption/interaction COCl2 BN nanocages are −9.30, −6.90, −3.70 kJ/mol G1, G2, G3 respectively, whereas the interaction...
Five new molecules (<bold>M1–M5</bold>) were designed by structural modification of acceptor moiety (rhodanine-3-acetic acid) well-known synthesized dye JY05, and their optoelectronic properties are evaluated to be used as donor in organic solar cells.
This study provides a high-level overview of alternative energy sources that can be harnessed to power agricultural operations, focusing on renewable technologies. When thinking about the overall economy around globe, agriculture is vital. Energy required at each step production, from fertilizer production fueling tractors for planting and harvesting. The high prices unpredictable market significantly affect input costs. efficiency methods, when properly applied, use farm's could assist...
Abstract DFT calculations were carried out in order to study the second‐order nonlinear optical (NLO) response of a series proposed 2D polyoxometalate‐based terpyridine‐substituted compounds. These compounds can be formulated as [Mo 6 O 17 {N 4 C 25 H 16 (X) 2 }{N }] 2– (X = H, F, Cl, Br, I, CF 3 , or CN), which has wedge Λ‐shaped acceptor––π‐conjugated bridge––donor––π‐conjugated bridge––acceptor (A‐π‐D‐π‐A) configuration. The showed that these possess significantly large molecular...
This work was inspired by a previous report [Janjua, M. R. S. A. Inorg. Chem. 2012, 51, 11306–11314] in which the optoelectronic properties were improved with an acceptor bearing heteroaromatic rings. Herein, we have designed four novel Y-series non-fullerene acceptors (NFAs) end-capped modifications of recently synthesized 15% efficient Y21 molecule for better and their potential use solar cell applications. Density functional theory (DFT) along time-dependent density (TDDFT) at...
Quinoline and its derivatives are widely studied by both synthetic computational chemists due to their exciting perspectives in biological nonlinear optical (NLO) research. Herein, three novel arylated quinolines: 3-(4-acetylphenyl)quinoline (1), 3-(4-(methylthio)phenyl)-quinoline (2) 3-(4-phenoxyphenyl)quinoline (3) were synthesized employing Pd catalyzed Suzuki–Miyaura cross-coupling reaction. The chemical structures of all compounds resolved different analytical techniques like 1H-NMR,...