Machine learning for high performance organic solar cells: current scenario and future prospects

A Mahmood, JL Wang - Energy & environmental science, 2021 - pubs.rsc.org
Machine learning (ML) is a field of computer science that uses algorithms and techniques for
automating solutions to complex problems that are hard to program using conventional …

A review of grazing incidence small‐and wide‐angle x‐ray scattering techniques for exploring the film morphology of organic solar cells

A Mahmood, JL Wang - Solar RRL, 2020 - Wiley Online Library
In recent years, a rapid evolution of organic solar cells (OSCs) has been achieved by virtue
of structural design of active layer materials and optimization of film morphology. Along with …

Machine learning and molecular dynamics simulation-assisted evolutionary design and discovery pipeline to screen efficient small molecule acceptors for PTB7-Th …

A Mahmood, A Irfan, JL Wang - Journal of Materials Chemistry A, 2022 - pubs.rsc.org
Organic solar cells are the most promising candidates for future commercialization. This goal
can be quickly achieved by designing new materials and predicting their performance …

Developing Efficient Small Molecule Acceptors with sp2‐Hybridized Nitrogen at Different Positions by Density Functional Theory Calculations, Molecular Dynamics …

A Mahmood, A Irfan, JL Wang - Chemistry–A European Journal, 2022 - Wiley Online Library
Chemical structure of small molecule acceptors determines their performance in organic
solar cells. Multiscale simulations are necessary to avoid trial‐and‐error based design …

Molecular level understanding of the chalcogen atom effect on chalcogen-based polymers through electrostatic potential, non-covalent interactions, excited state …

A Mahmood, A Irfan, JL Wang - Polymer Chemistry, 2022 - pubs.rsc.org
Polymer donor materials have been considered as a game changer, especially in the early
history of polymer solar cells. However, much progress is the result of hard work resulting …

Benzotriazole-Based Acceptor and Donors, Coupled with Chlorination, Achieve a High VOC of 1.24 V and an Efficiency of 10.5% in Fullerene-Free Organic Solar …

A Tang, W Song, B Xiao, J Guo, J Min, Z Ge… - Chemistry of …, 2019 - ACS Publications
Herein, a simple “Same-A-Strategy”(SAS), constructing p-type and n-type photovoltaic
materials with the same electron-accepting (A) unit of benzotriazole, is adopted to initially …

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, developing efficient and stable non-fused ring-based …

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 …

Effect of tailoring π-linkers with extended conjugation on the SJ-IC molecule for achieving high V OC and improved charge mobility towards enhanced photovoltaic …

H Zubair, RF Mahmood, M Waqas, M Ishtiaq, J Iqbal… - RSC …, 2023 - pubs.rsc.org
The problem of low efficiency of organic solar cells can be solved by improving the charge
mobility and open circuit voltage of these cells. The current research aims to present the role …

Impact of end-capped modification of MO-IDT based non-fullerene small molecule acceptors to improve the photovoltaic properties of organic solar cells

M Waqas, J Iqbal, RF Mehmood, SJ Akram… - Journal of Molecular …, 2022 - Elsevier
Density functional theory, along with its time dependent computational approach were
employed in order to fine tune the photovoltaic attributes along with the efficiency of the MO …