A DFT study for improving the photovoltaic performance of organic solar cells by designing symmetric non-fullerene acceptors by quantum chemical modification on …

A Zahoor, S Sadiq, RA Khera, M Essid, Z Aloui… - Journal of Molecular …, 2023 - Elsevier
Minimizing the energy loss and improving the open circuit voltage of organic solar cells is
still a primary concern for scientists working in this field. With the aim to enhance the …

Unveiling symmetry: a comparative analysis of asymmetric and symmetric non-fullerene acceptors in organic solar cells

R Khatua, A Mondal - Journal of Materials Chemistry C, 2024 - pubs.rsc.org
This study investigates the design and analysis of symmetric and asymmetric non-fullerene
acceptors (NFAs), focusing on the burgeoning interest in asymmetric NFAs due to their …

Design and screening of B–N functionalized non-fullerene acceptors for organic solar cells via multiscale computation

R Khatua, A Mondal - Materials Advances, 2023 - pubs.rsc.org
The molecular engineering of small molecule non-fullerene acceptors (NFAs) is central to
enhancing organic solar cell (OSC) performance. One of the effective strategies is the …

Theoretical investigation of substituted end groups in thiophene‐phenyl‐thiophene (TPT) derivatives for high efficiency organic solar cells

S Sadiq, RA Khera, AM Tawfeek… - Journal of Physical …, 2024 - Wiley Online Library
The field of organic solar cells has witnessed notable advancements in the past few years,
mostly due to the development of novel materials for the active layer. The current …

Physics-Informed Machine Learning with Data-Driven Equations for Predicting Organic Solar Cell Performance

R Khatua, B Das, A Mondal - ACS Applied Materials & Interfaces, 2024 - ACS Publications
Organic solar cells (OSCs) have emerged as a promising solution in pursuing sustainable
energy. This study presents a comprehensive approach to advancing OSC development by …

Predictive Modeling and Design of Organic Solar Cells: A Data-Driven Approach for Material Innovation

B Das, A Mondal - ACS Applied Energy Materials, 2024 - ACS Publications
We present a robust machine learning methodology to accurately predict key photovoltaic
parameters in organic solar cells (OSCs). Our approach involves curating a comprehensive …

Conformation-Dictated Aggregation Photophysics in Isoindigo-Based Copolymers

E Asmare, N Bekri, LT Nchinda, FG Hone… - The Journal of …, 2024 - ACS Publications
The aggregation of polymer chains directly influences the morphology of thin films used in
optoelectronic devices. Therefore, understanding the relationship between the backbone …

Exploring structure–property landscape of non-fullerene acceptors for organic solar cells

K Patel, R Khatua, K Patrikar, A Mondal - The Journal of Chemical …, 2024 - pubs.aip.org
We present a comprehensive analysis of the structure–property relationship in small
molecule non-fullerene acceptors (NFAs) featuring an acceptor–donor–acceptor …