A5055173123- Organic Electronics and Photovoltaics
- Conducting polymers and applications
- Crystallization and Solubility Studies
- X-ray Diffraction in Crystallography
- Molecular Junctions and Nanostructures
- Crystal structures of chemical compounds
- Catalytic Cross-Coupling Reactions
- Nonlinear Optical Materials Research
- Perovskite Materials and Applications
- Synthesis and biological activity
- Synthetic Organic Chemistry Methods
- Fullerene Chemistry and Applications
- Organic Chemistry Synthesis Methods
- Chemical synthesis and alkaloids
- Phenothiazines and Benzothiazines Synthesis and Activities
- Boron and Carbon Nanomaterials Research
- Organic Light-Emitting Diodes Research
- Catalytic C–H Functionalization Methods
- Structural and Chemical Analysis of Organic and Inorganic Compounds
- Cyclopropane Reaction Mechanisms
- Asymmetric Synthesis and Catalysis
- Marine Sponges and Natural Products
- Catalytic Alkyne Reactions
- Bioactive Compounds and Antitumor Agents
- Synthesis of Organic Compounds
University of Faisalabad
2019-2024
University of Agriculture Faisalabad
2013-2024
The University of Agriculture, Peshawar
2019-2023
University of Rostock
2009-2015
Albert Einstein College of Medicine
2010-2012
Government College University, Faisalabad
2011-2012
Quaid-i-Azam University
2007-2010
Non-fused ring-based OSCs are an excellent choice, which is attributed to their low cost and flexibility in applications. However, developing efficient stable non-fused still a big challenge. In this work, with the intent increase Voc for enhanced performance, seven new molecules derived from pre-existing A-D-A type A3T-5 molecule proposed. Different important optical, electronic efficiency-related attributes of studied using DFT approach. It discovered that newly devised possess optimum...
Nonfullerene-based organic solar cells can be utilized as favorable photovoltaic and optoelectronic devices due to their enhanced life span efficiency. In this research, seven new molecules were designed improve the working efficiency of by utilizing a terminal acceptor modification approach. The perceived A2–D–A1–D–A2 configuration-based possess lower band gap ranging from 1.95 2.21 eV compared pre-existing reference molecule (RW), which has 2.23 eV. modified also exhibit higher λmax values...
This study focuses on the investigation of adsorptive behavior Cu, Ni, and Zn ions by Archontophoenix alexandrae in single metal system (SMS), bi-metal (BMS), tri-metal (TMS).This was done through a novel strategy combining factorial design (FD), response surface methodology (RSM), mixture (MD).The adsorption carried out as function pH, contact time, biomass dosage validated screening design.To improve capacities metallic ions, RSM MD involving central composite simplex lattice were used.The...
With the aim of upgrading power conversion efficiency organic solar cells (OSCs), four novel non-fullerene, A1–A2–D–A2–A1-type small molecules were designed that are derivatives a recently synthesized molecule SBDT-BDD reported for its efficient properties in all-small-molecule OSCs (ASM-OSCs). Optoelectronic theoretically computed with selected CAM-B3LYP functional accompanied by 6-31G(d,p) basis set density theory (DFT), and excited-state calculations performed through time-dependent...
The exploration of novel materials with excellent nonlinear optical (NLO) features is an area frontline investigation for scientific community from technological point view. This study reports the phenothiazine-based rod-shaped and T-shaped NLO molecules which are quantum chemically designed synthesized compounds: (CFA CBA) (CTA, CCA CPA). Structural tailoring was performed on D-π-π-A centered CPA chromophore effect various π-spacers, as well solvents response properties investigated....
In this study, we designed a series of pyrene-based donor-π-donor-π-acceptor compounds (HPTC1-HPTC7) by structural tailoring the reference compound (HPTC) using acceptor units. Nonlinear optical (NLO) properties, frontier molecular orbitals (FMOs), natural bonding orbital (NBO), transition density matric (TDM) analysis, and absorption spectra proposed derivatives were calculated at M06/6-31G(d,p) functional. All have smaller energy bandgaps than HPTC compound. Moreover, exhibited larger...
In the current study, six nonfullerene small acceptor molecules were designed by end-group modification of terminal acceptors. Density functional theory calculations all performed, and optoelectronic properties computed employing different functionals. Every constructed molecule has a significant bathochromic shift in maximum absorption value (λmax) except AM6. AM1-AM4 represented narrow band gap (Eg) low excitation energy values. The AM6 have higher electron mobility. Comparing AM2 to...
Improving the charge mobility and optoelectronic properties of indacenodithiophene-based small molecule acceptors is a key challenge to improving overall efficiency. In this current research, seven newly designed molecules (DT1-DT7) comprising core are presented tune energy levels, enhance mobility, improve photovoltaic performance IDTV-ThIC via density functional theory. All were by end-capped modification substituting terminal with strong electron-withdrawing moieties. Among all examined...
In this quantum chemical approach, we studied the effect of inserting various π-linkers to reveal photovoltaic properties SJ-IC. Results showed that newly proposed molecules outperformed reference SJ-IC in context properties.