Designing of silolothiophene-linked triphenylamine-based hole transporting materials for perovskites and donors for organic solar cells-A DFT study

R Hussain, M Adnan, K Atiq, MU Khan, ZH Farooqi… - Solar Energy, 2023 - Elsevier
Si-OMeTPA is receiving a lot of interest as potential hole transport materials in perovskite
solar cells (PSCs) because of their wide range of energy tuning, strong absorption capacity …

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 …

Unveiling peripheral symmetric acceptors coupling with tetrathienylbenzene core to promote electron transfer dynamics in organic photovoltaics

M Khalid, A Jabbar, S Murtaza, M Arshad… - Scientific Reports, 2024 - nature.com
Non-fullerene organic compounds are promising materials for advanced photovoltaic
devices. The photovoltaic and electronic properties of the derivatives (TTBR and TTB1 …

Development of non-fused acceptor materials with 3D-Interpenetrated structure for stable and efficient organic solar cells

T Hassan, R Hussain, MU Khan, U Habiba… - Materials Science in …, 2022 - Elsevier
The modification of end-capped acceptors of a molecule is an efficient strategy for novel
solar cells. In this line, we have tailored and explored eight novel molecules for possible …

Molecular engineering of anthracene core-based hole-transporting materials for organic and perovskite photovoltaics

A Shafiq, M Adnan, R Hussain, Z Irshad, U Farooq… - ACS …, 2023 - ACS Publications
Anthracene core-based hole-transporting material containing TIPs (triisopropylsilylacetylene
) has been spotlighted as potential donors for perovskite solar cells (SCs) due to their …

Fused ring pyrrolo [3, 2-b] pyrrole-based tilde-shaped acceptor molecules for highly efficient organic solar cells

K Atiq, M Adnan, S Muhammad, R Hussain… - Journal of Physics and …, 2023 - Elsevier
Tilde-shaped materials based on pyrrolo [3, 2-b] pyrrole (PP) have attracted a lot of interest
as potential acceptors for organic solar cells (OSCs) because of their wide range of energy …

[HTML][HTML] Molecular modelling of fused heterocycle-based asymmetric non-fullerene acceptors for efficient organic solar cells

M Adnan, Z Irshad, W Lee, R Hussain, S Kim… - Journal of Saudi …, 2023 - Elsevier
Heterocycle substitution plays a key role in designing an ultra-narrower bandgap (ultra-
NBG) small molecule-based (SM) non-fullerene acceptors (NFAs) for organic solar cells …

Fine tuning the optoelectronic properties of Dibenzo [b, d] Furan-Centered linear hole transporting materials for perovskite solar cells

WA Zahid, W Akram, MF Ahmad, A Elmushyakh… - Journal of Physics and …, 2023 - Elsevier
Perovskite solar cells (PSCs) have received a lot of interest recently due to their high
efficiency, affordable manufacture, and band gap turn capacity. Reports on PSCs efficiency …

First-principles calculations to investigate structural and electronic properties of novel halides ZrIX (X= Cl, Br) for photovoltaic application

Y Naik, D Mehta, PR Parmar, PB Thakor - Physica B: Condensed Matter, 2024 - Elsevier
In order to meet the increasing need for proficient photovoltaic materials, the electronic,
structural, optical, and photovoltaic performance of ZrX 2 (X= Cl, Br, I) and ZrIX (X= Cl, Br) …

In silico end‐capped engineering of 4, 4′‐dimethyl‐[2, 2′‐bithiazole] core‐based acceptor materials for high‐performance organic solar cells

S Kousar, F Zafar, A Rani, R Hussain… - Journal of Physical …, 2023 - Wiley Online Library
Organic solar cells (OSCs) have grabbed the attention of researchers due to good power
conversion efficiency, low cost, and ability to compensate for light deficit. The aim of the …