[HTML][HTML] NLO potential exploration for D–π–A heterocyclic organic compounds by incorporation of various π-linkers and acceptor units

M Khalid, MU Khan, I Shafiq, R Hussain… - Arabian Journal of …, 2021 - Elsevier
Heterocyclic compounds with excellent nonlinear optical (NLO) properties are highly
significant and have many potentials uses in various fields such as nuclear science …

Enriching NLO efficacy via designing non-fullerene molecules with the modification of acceptor moieties into ICIF2F: an emerging theoretical approach

M Khalid, MN Arshad, S Murtaza, I Shafiq, M Haroon… - RSC …, 2022 - pubs.rsc.org
Non-fullerene (NF)-based compounds have attracted much attention as compared to
fullerene-based materials because of their promising optoelectronic properties, lower …

Conduction band engineering in semiconducting oxides (TiO2, SnO2): Applications in perovskite photovoltaics and beyond

L Kavan - Catalysis Today, 2019 - Elsevier
The paper reviews salient findings about the conduction band minimum (CBM) in TiO 2 and
SnO 2, which are relevant to applications in energy conversion and storage. The CBM is …

Influence of azo-based donor modifications on nonlinear optical amplitude of D-π-A based organic chromophores: A DFT/TD-DFT exploration

I Shafiq, I Amanat, M Khalid, MA Asghar, R Baby… - Synthetic Metals, 2023 - Elsevier
Organic heterocyclic fused ring compounds possess remarkable nonlinear optical (NLO)
amplitude, are potentially employed in optical computing and nano-photonics. Herein …

Recent developments in the synthesis of 1, 2, 5-thiadiazoles and 2, 1, 3-benzothiadiazoles

OA Rakitin - Synthesis, 2019 - thieme-connect.com
The fast-growing interest in 1, 2, 5-thiadiazoles and their fused analogues including 2, 1, 3-
benzothiadiazoles in recent years as important compounds in materials science and …

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 …

Phenanthrene‐Fused‐Quinoxaline as a Key Building Block for Highly Efficient and Stable Sensitizers in Copper‐Electrolyte‐Based Dye‐Sensitized Solar Cells

H Jiang, Y Ren, W Zhang, Y Wu, EC Socie… - Angewandte …, 2020 - Wiley Online Library
Dye‐sensitized solar cells (DSSCs) based on CuII/I bipyridyl or phenanthroline complexes
as redox shuttles have achieved very high open‐circuit voltages (VOC, more than 1 V) …

Organic sensitizers with extended conjugation frameworks as cosensitizers of porphyrins for developing efficient dye-sensitized solar cells

Y Cheng, G Yang, H Jiang, S Zhao… - ACS applied materials …, 2018 - ACS Publications
Relatively high efficiencies have been achieved for porphyrin-based dye-sensitized solar
cells. For the purpose of designing efficient cosensitizers, we herein report systematically …

Theoretical designing of non-fullerene derived organic heterocyclic compounds with enhanced nonlinear optical amplitude: a DFT based prediction

M Khalid, M Khan, K Mahmood, M Arshad, M Imran… - Scientific Reports, 2022 - nature.com
In current era, non-fullerene (NF) chromophores have been reported as significant NLO
materials due to promising optoelectronic properties. Therefore, a series of NF based …

Introducing chenodeoxycholic acid coadsorbent and strong electron-withdrawing group in indoline dyes to design high-performance solar cells: a remarkable …

L Mao, S Dun, H Ren, J Jiang, X Guo… - Journal of Materials …, 2021 - pubs.rsc.org
The addition of coadsorbents and the introduction of electron-withdrawing groups in dye
sensitizers are considered feasible strategies for improving the power conversion efficiency …