Quinoxaline‐Based D–A Copolymers for the Applications as Polymer Donor and Hole Transport Material in Polymer/Perovskite Solar Cells

C Sun, C Zhu, L Meng, Y Li - Advanced Materials, 2022 - Wiley Online Library
Polymer solar cells (PSCs) have achieved great progress recently, benefiting from the rapid
development of narrow bandgap small molecule acceptors and wide bandgap conjugated …

Quantum chemical analysis and molecular dynamics simulations to study the impact of electron-deficient substituents on electronic behavior of small molecule …

A Mahmood, A Irfan, F Ahmad, MRSA Janjua - … and Theoretical Chemistry, 2021 - Elsevier
In present study, a multiscale computational analysis is performed to understand the impact
of structural modification through electron-deficient group substitution on the electronic and …

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 …

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 …

DTBDT‐Based Polymer Hole Transport Materials for Low Voltage Loss CsPbI2Br Perovskite Solar Cells

C Duan, A Tang, Q Guo, W Zhang… - Advanced Functional …, 2024 - Wiley Online Library
The power conversion efficiency (PCE) of CsPbI2Br perovskite solar cells (PSCs) is still far
from the theoretical efficiency due to the pronounced losses in open‐circuit voltage (VOC) …

Designing of symmetric and asymmetric small molecule acceptors for organic solar cells: A farmwork based on Machine learning, virtual screening and structural …

T Mubashir, MH Tahir, MHH Mahmoud, Z Shafiq… - … of Photochemistry and …, 2023 - Elsevier
Organic solar cells (OSCs) have drawn a lot of interests because of their distinctive qualities,
including flexibility and tunability. In present study, a detailed data-driven framework is …

Precise fluorination of polymeric donors towards efficient non-fullerene organic solar cells with balanced open circuit voltage, short circuit current and fill factor

X Wang, H Chen, J Yuan, Q Wei, J Li, L Jiang… - Journal of Materials …, 2021 - pubs.rsc.org
Three polymer donors named Qx-8F, Qx-10F, and Qx-12F, with similar chemical structures,
were synthesized. The energy level of these donors is manipulated by precisely controlling …

Double-bridged N–B← N bipyridyl-based airfoil-shaped small molecule dyes: π-bridge regulation on photovoltaic performance

C Liu, L Yin, X Wang, Y Liu, Y Li - Dyes and Pigments, 2024 - Elsevier
The double-bridged N–B← N bipyridine unit (BNBP) with boron-nitrogen covalent bond and
coordination bond can reduce the electronic energy level of the π-conjugated system …

Synergistically boosting performances of organic solar cells from dithieno [3, 2-b] benzo [1, 2-b; 4, 5-b′] dithiophene-based copolymers via side chain engineering …

H Xu, P Guo, Q Wang, X He, A Zhou, X Sun… - Journal of Materials …, 2024 - pubs.rsc.org
As a notable analogue of benzo [1, 2-b: 4, 5-b′] dithiophene (BDT), dithieno [2, 3-d: 2′,
3′-d′] benzo [1, 2-b: 4, 5-b′] dithiophene (DTBDT) is expected to be a more promising …

Effect of chlorination and position isomerization of benzotriazole-based acceptors on high-voltage organic solar cells based on dithienobenzodithiophene (DTBDT) …

J Zhu, M Du, A Tang, Y Meng, C Li, Q Guo… - Journal of Materials …, 2024 - pubs.rsc.org
Dithienobenzodithiophene (DTBDT)-based polymers exhibit good planarity, strong
crystallinity, and high mobility. However, their application in organic solar cells (OSCs) …