Molecularly engineered pyrrole-based hole transport materials featuring diversified structures for high-performance perovskite solar cells from first-principles

W Akram, A Walayat, WA Zahid, T Peng… - Journal of Molecular …, 2024 - Elsevier
Molecular engineering of hole transport materials (HTMs) with suitable band alignment,
robust hole mobility, and processability is crucial for the development of efficient perovskite …

[HTML][HTML] A review of interface engineering characteristics for high performance perovskite solar cells

GG Njema, JK Kibet, SM Ngari - Measurement: Energy, 2024 - Elsevier
The use of perovskite solar cells (PSCs) holds immense promise in electricity generation
due to their high efficiency and potential for cost-effective production. However, their …

Rational designing of phenothiazine dioxide based hole transporting materials for efficient perovskite solar cells

M Hanan, A Mahal, J Iqbal, RA Khera, W Akram… - Solar Energy, 2024 - Elsevier
In this study, we design five novel non-fullerene end capped acceptor based efficient hole
transporting materials (HTMs) from phenothiazine dioxide-based core. MPW1PW91 …

Designing Thieno[3,4-c]pyrrole-4,6-dione Core-Based, A2–D–A1–D–A2-Type Acceptor Molecules for Promising Photovoltaic Parameters in Organic Photovoltaic …

T Noor, M Waqas, M Shaban, S Hameed… - ACS …, 2024 - ACS Publications
Nonfullerene-based organic solar cells can be utilized as favorable photovoltaic and
optoelectronic devices due to their enhanced life span and efficiency. In this research, seven …

Investigating the impact of end-capped acceptor alterations to dimethyl fluorene-based hole transporting material for perovskite solar cells

R Sharafat, A Basharat, U Salma, J Iqbal… - Journal of Physics and …, 2024 - Elsevier
Hole-transporting materials (HTMs) could boost the proficiency of third generation-
perovskite solar cells since they have ultrafast charge mobility that improves optoelectronic …

Dithieno azepine-based hole-transporting materials to enhance photovoltaic properties of perovskite solar cells (PSCs)

M Sial, WA Zahid, U Khalid, A Imtiaz… - Colloids and Surfaces A …, 2024 - Elsevier
Computational investigations on the optical and photoelectric properties of hole-transporting
materials (HTMs) are an effective approach to identifying the future HTMs for efficient …

Terminal Acceptor-Driven designing of fused Triphenylamine-Based organic small molecules with Bis-Dimethylfluorenyl peripheral moieties for advanced …

W Akram, WA Zahid, T Peng, LM Al-Shaqri, K Wang… - Solar Energy, 2024 - Elsevier
Organic electronic materials are a highly anticipated research area due to their potential in
optoelectronic and photovoltaic applications. This study presents the rational design of small …

Tailoring electronic structure and charge transport in thiophene-based hole transport materials: An end-cap** acceptor strategy for efficient perovskite solar cells

W Akram, WA Zahid, SAM Abdelmohsen… - Journal of Physics and …, 2023 - Elsevier
Hole transport materials (HTMs) with suitable band alignment, robust charge mobility, and
processability are highly desirable for the development of efficient perovskite solar cells. In …

Rational Design and Engineering of Terminal Functional Groups in Dibenzothiophene‐Diphenylamine Small Molecular Electron Donors for Enhanced Photovoltaic …

W Akram, A Walayat, WA Zahid… - Advanced Theory …, 2024 - Wiley Online Library
All‐small‐molecule organic solar cells (ASM‐OSCs) offer advantages like well‐defined
molecular structures and excellent reproducibility. However, lower photovoltaic efficiencies …

Advancing optoelectronic performance of organic and perovskite photovoltaics: computational modeling of hole transport material based on end-capped …

H Etabti, A Fitri, AT Benjelloun, M Benzakour… - Research on Chemical …, 2024 - Springer
Six novel carbazole-based hole-transporting materials (HTMs)(DBC1–DBC6) have been
meticulously engineered through structural modifications of the reference molecule R. These …