First principles study of electronic and nonlinear optical properties of A–D–π–A and D–A–D–π–A configured compounds containing novel quinoline–carbazole …

M Khalid, A Ali, R Jawaria, MA Asghar, S Asim… - RSC …, 2020 - pubs.rsc.org
Materials with nonlinear optical (NLO) properties have significant applications in different
fields, including nuclear science, biophysics, medicine, chemical dynamics, solid physics …

Unveiling peripheral symmetric acceptors coupling with tetrathienylbenzene core to promote electron transfer dynamics in organic photovoltaics

M Khalid, A Jabbar, S Murtaza, M Arshad… - Scientific Reports, 2024 - nature.com
Non-fullerene organic compounds are promising materials for advanced photovoltaic
devices. The photovoltaic and electronic properties of the derivatives (TTBR and TTB1 …

Computational investigation of bioactive 2, 3-diaryl quinolines using DFT method: FT-IR, NMR spectra, NBO, NLO, HOMO-LUMO transitions, and quantum-chemical …

S Janeoo, A Saroa, R Kumar, H Kaur - Journal of Molecular Structure, 2022 - Elsevier
Quinoline derivatives are widely utilized in a variety of applications, including medicine and
materials. In this work our previously developed bioactive fluorine-containing 2, 3 …

Prediction of second-order nonlinear optical properties of D–π–A compounds containing novel fluorene derivatives: A promising route to giant hyperpolarizabilities

MU Khan, M Ibrahim, M Khalid, AAC Braga… - Journal of Cluster …, 2019 - Springer
Herein, first attempt has been made to utilize fluorene-based dye-sensitized solar cell
(DSSCs) dye JK-201 as potential nonlinear optical (NLO) material and for the theoretical …

[HTML][HTML] Exploration of photovoltaic behavior of benzodithiophene based non-fullerene chromophores: first theoretical framework for highly efficient photovoltaic …

I Shafiq, M Khalid, MA Asghar, M Adeel… - Journal of Materials …, 2023 - Elsevier
Keeping in view, the recent energy conditions and contribution of non-fullerene acceptors
(NFAs) towards organic solar cells (OSCs), a series of NFAs (D1-D9) was designed. The …

Efficient synthesis, spectroscopic characterization, and nonlinear optical properties of novel salicylaldehyde-based thiosemicarbazones: experimental and theoretical …

S Bullo, R Jawaria, I Faiz, I Shafiq, M Khalid… - ACS …, 2023 - ACS Publications
Currently, we reported the synthesis of six novel salicylaldehyde-based thiosemicarbazones
(BHCT1–HBCT6) via condensation of salicylaldehyde with respective thiosemicarbazide …

[HTML][HTML] Synthesis, crystal structure analysis, spectral IR, UV–Vis, NMR assessments, electronic and nonlinear optical properties of potent quinoline based derivatives …

M Khalid, MA Ullah, M Adeel, MU Khan… - Journal of Saudi …, 2019 - Elsevier
Quinoline and its derivatives are widely studied by both synthetic and computational
chemists due to their exciting perspectives in biological and nonlinear optical (NLO) …

Nanometer CeO2 doped high silica ZSM-5 heterogeneous catalytic ozonation of sulfamethoxazole in water

X Zuo, S Ma, Q Wu, J Xiong, J He, C Ma… - Journal of Hazardous …, 2021 - Elsevier
A novel CeO 2 doped high silica ZSM-5 (CeO 2@ HSZSM-5) composite was originally
fabricated via ammonia precipitation for the catalytic ozonation of sulfamethoxazole (SMX) …

Facile Ultrasound‐Based Synthesis, SC‐XRD, DFT Exploration of the Substituted Acyl‐Hydrazones: An Experimental and Theoretical Slant towards Supramolecular …

M Khalid, A Ali, S Abid, MN Tahir, MU Khan… - …, 2020 - Wiley Online Library
Sono‐chemical synthesis is safest and greener methods to fabricate valuable scaffolds in
short time. Currently, we are reporting an efficient ultrasound‐based synthesis of substituted …

Persistent prevalence of supramolecular architectures of novel ultrasonically synthesized hydrazones due to hydrogen bonding [X–H⋯ O; X= N]: Experimental and …

M Khalid, A Ali, S Asim, MN Tahir, MU Khan… - Journal of Physics and …, 2021 - Elsevier
In this study, a series of novel pyridine-based hydrazone derivatives comprising (E)-2-((6-
chloropyridin-2-yl) oxy)-N′-(2, 3-dihydroxybenzylidene) acetohydrazide (CPBAH),(E)-2-((6 …