Exploration of the intriguing photovoltaic behavior for fused indacenodithiophene-based A–D–A conjugated systems: a DFT model study

MN Arshad, I Shafiq, M Khalid, AM Asiri - ACS omega, 2022 - ACS Publications
Many researchers are engaged nowadays in develo** efficient photovoltaic materials to
accomplish the demand of modern technology. Nonfullerene small molecular acceptors (NF …

Molecular modeling of the spectroscopic, structural, and bioactive potential of tetrahydropalmatine: insight from experimental and theoretical approach

W Emori, H Louis, SA Adalikwu… - Polycyclic Aromatic …, 2023 - Taylor & Francis
Tetrahydropalmatine have been experimentally reported to have promising biological
applications, although detailed theoretical investigation on its structural activities regarding …

First theoretical framework for highly efficient photovoltaic parameters by structural modification with benzothiophene-incorporated acceptors in dithiophene based …

M Khalid, R Ahmed, I Shafiq, M Arshad, MA Asghar… - Scientific Reports, 2022 - nature.com
Now a days, researchers are constantly doing efforts to upgrade the performance of solar
based devices with the aim of increasing the role of photovoltaic materials in modern hi-tech …

Exploration of promising optical and electronic properties of (non-polymer) small donor molecules for organic solar cells

M Khalid, MU Khan, S Ahmed, Z Shafiq, MM Alam… - Scientific Reports, 2021 - nature.com
Non-fullerene based organic compounds are considered promising materials for the
fabrication of modern photovoltaic materials. Non-fullerene-based organic solar cells …

Designing triazatruxene-based donor materials with promising photovoltaic parameters for organic solar cells

MU Khan, J Iqbal, M Khalid, R Hussain, AAC Braga… - RSC …, 2019 - pubs.rsc.org
To address the increasing demand of efficient photovoltaic compounds for modern hi-tech
applications, efforts have been made herein to design and explore triazatruxene-based …

[HTML][HTML] Efficient tuning of small acceptor chromophores with A1-π-A2-π-A1 configuration for high efficacy of organic solar cells via end group manipulation

M Khalid, I Shafiq, M Zhu, MU Khan, Z Shafiq… - Journal of Saudi …, 2021 - Elsevier
Now a days, non-fullerene organic compounds are considered with keen interest for the
greener energy and potential photovoltaic devices. Herein, novel acceptor chromophores …

Designing three‐dimensional (3D) non‐fullerene small molecule acceptors with efficient photovoltaic parameters

M Ans, J Iqbal, Z Ahmad, S Muhammad… - …, 2018 - Wiley Online Library
Abstract Three dimensional (3D) acceptor‐donor‐acceptor (A− D‐A) type small molecules
(M1, M2, M3 and M4) are theoretically investigated for optoelectronic properties. The …

Designing indenothiophene-based acceptor materials with efficient photovoltaic parameters for fullerene-free organic solar cells

Z Afzal, R Hussain, MU Khan, M Khalid, J Iqbal… - Journal of molecular …, 2020 - Springer
Non-fullerene small molecular acceptors (NFSMAs) exhibit promising photovoltaic
performance which promoted the rapid progress of organic solar cells (OSCs). In this study …

The impact of structural modifications into benzodithiophene compounds on electronic and optical properties for organic solar cells

I Shafiq, M Khalid, M Muneer, MA Asghar… - Materials Chemistry and …, 2023 - Elsevier
To meet the energy demands, fullerene-free organic systems have been emerging as
efficient photovoltaic materials. Therefore, we have tailored benzodithiophene-based A-π-D …

Molecular engineering of indenoindene-3-ethylrodanine acceptors with A2-A1-D-A1-A2 architecture for promising fullerene-free organic solar cells

M Khalid, Momina, M Imran, MFU Rehman… - Scientific Reports, 2021 - nature.com
Considering the increased demand and potential of photovoltaic devices in clean,
renewable electrical and hi-tech applications, non-fullerene acceptor (NFA) chromophores …