Exploring the electronic, optical, and charge transfer properties of ADA-type IDTV-ThIC-based molecules to enhance photovoltaic performance of organic solar cells

M Majeed, M Waqas, Z Aloui, M Essid, MAA Ibrahim… - ACS …, 2023‏ - ACS Publications
Improving the charge mobility and optoelectronic properties of indacenodithiophene-based
small molecule acceptors is a key challenge to improving overall efficiency. In this current …

Theoretical framework for achieving high V oc in non-fused non-fullerene terthiophene-based end-capped modified derivatives for potential applications in organic …

M Waqas, NMA Hadia, AM Shawky, RF Mahmood… - RSC …, 2023‏ - pubs.rsc.org
Non-fused ring-based OSCs are an excellent choice, which is attributed to their low cost and
flexibility in applications. However, develo** efficient and stable non-fused ring-based …

Quantum chemical approach of donor− π–acceptor based arylborane–arylamine macrocycles with outstanding photovoltaic properties toward high-performance …

S Zahid, A Rasool, M Ans, M Yaseen, J Iqbal - Energy & Fuels, 2021‏ - ACS Publications
A theoretical quantum chemical investigation of D− π–A conjugated molecules based on
arylborane–arylamine is proposed with the motive of suggesting new organic materials for …

Environmentally compatible and highly improved hole transport materials (HTMs) based on benzotrithiophene (BTT) skeleton for perovskite as well as narrow …

S Zahid, A Rasool, M Ans, MS Akhter, J Iqbal… - Solar Energy, 2022‏ - Elsevier
This research project centralized modeling and DFT analysis of reference (BTTR) and
intended chromophores (BTTM1-BTTM5) based on benzotrithiophene (BTT) core to render …

Bithieno thiophene-based small molecules for application as donor materials for organic solar cells and hole transport materials for perovskite solar cells

A Rasool, S Zahid, M Ans, S Muhammad, K Ayub… - ACS …, 2021‏ - ACS Publications
This quantum mechanical study focuses on the designing of twelve (MPAM1–MPAM12)
bithieno thiophene (BTTI) central core-based small molecules to explore optoelectronic …

Machine‐learning analysis of small‐molecule donors for fullerene based organic solar cells

MRSA Janjua, A Irfan, M Hussien, M Ali… - Energy …, 2022‏ - Wiley Online Library
In recent years, development in organic solar cells speeds up and performance continuously
increases. From the last few years, machine learning gains fame among scientists who are …

Theoretical designing of symmetrical non-fullerene acceptor molecules by end-capped modification for promising photovoltaic properties of organic solar cells

M Ishtiaq, M Waqas, H Zubair, RF Mehmood… - Journal of Molecular …, 2023‏ - Elsevier
Non-fullerene small molecules must absorb in a broader wavelength range for achieving
high efficiencies. This work presents seven indacenodithiophene core-based acceptor …

Synergistic engineering of end-capped acceptor and bridge on arylborane-arylamine macrocycles to boost the photovoltaic properties of organic solar cells

A Rasool, S Zahid, M Ans, J Iqbal, M Adnan… - Optical Materials, 2022‏ - Elsevier
A new stream of donor-π-acceptor (D-π-A) type arylborane-arylamine based donor
contributors namely (BN1, BN2, BN3, BN4, BN5) have been drafted by substituting the …

Learning from Fullerenes and Predicting for Y6: Machine Learning and High‐Throughput Screening of Small Molecule Donors for Organic Solar Cells

A Irfan, M Hussien, MY Mehboob, A Ahmad… - Energy …, 2022‏ - Wiley Online Library
In recent years, research on the development of organic solar cells has increased
significantly. For the last few years, machine learning (ML) has been gaining the attention of …

Modified optoelectronic parameters by end-group engineering of ADA type non-fullerene-based small symmetric acceptors constituting IBDT core for high …

M Majeed, M Waqas, RF Mehmood, NS Alatawi… - Journal of Physics and …, 2023‏ - Elsevier
End-chain exploration of Non-Fullerene Acceptors is an efficient approach to amplify the
photovoltaic properties of organic solar cells (OSCs). This green energy technology has …