Photovoltaic properties and enhancement in near-infrared light absorption capabilities of acceptor materials for organic solar cell applications: A quantum chemical …

MRSA Janjua - Journal of Physics and Chemistry of Solids, 2022 - Elsevier
More than 22% power conversion efficiency (PCE) of organic solar cells (OSCs) has been
reported with efficient narrow bandgap acceptor materials as the active layers. And end …

How does bridging core modification alter the photovoltaic characteristics of triphenylamine‐based hole transport materials? Theoretical understanding and prediction

MRSA Janjua - Chemistry–A European Journal, 2021 - Wiley Online Library
Perovskite solar cells have gained immense interest from researchers owing to their good
photophysical properties, low‐cost production, and high power conversion efficiencies. Hole …

Environmentally compatible and highly improved hole transport materials (HTMs) based on benzotrithiophene (BTT) skeleton for perovskite as well as narrow …

S Zahid, A Rasool, M Ans, MS Akhter, J Iqbal… - Solar Energy, 2022 - Elsevier
This research project centralized modeling and DFT analysis of reference (BTTR) and
intended chromophores (BTTM1-BTTM5) based on benzotrithiophene (BTT) core to render …

Quantum chemical approach of donor− π–acceptor based arylborane–arylamine macrocycles with outstanding photovoltaic properties toward high-performance …

S Zahid, A Rasool, M Ans, M Yaseen, J Iqbal - Energy & Fuels, 2021 - ACS Publications
A theoretical quantum chemical investigation of D− π–A conjugated molecules based on
arylborane–arylamine is proposed with the motive of suggesting new organic materials for …

Designing of benzodithiophene core-based small molecular acceptors for efficient non-fullerene organic solar cells

MY Mehboob, MU Khan, R Hussain, K Ayub… - … Acta Part A: Molecular …, 2021 - Elsevier
Nowadays, organic solar cells (OSCs) with non-fullerene electron acceptors provide the
highest efficiencies among all studied OSCs. To further improve the efficiencies of fullerene …

In silico modeling of new “Y-Series”-based near-infrared sensitive non-fullerene acceptors for efficient organic solar cells

MU Khan, R Hussain, M Yasir Mehboob, M Khalid… - ACS …, 2020 - ACS Publications
This work was inspired by a previous report [Janjua, MRSA Inorg. Chem. 2012, 51, 11306–
11314] in which the optoelectronic properties were improved with an acceptor bearing …

Designing N-phenylaniline-triazol configured donor materials with promising optoelectronic properties for high-efficiency solar cells

MY Mehboob, R Hussain, MU Khan, M Adnan… - Computational and …, 2020 - Elsevier
Considering the significant role of photovoltaic materials in diverse optoelectronic
applications, N-phenylaniline-based six new donor molecules (T1-T6) are quantum …

Molecular engineering of A–D–C–D–A configured small molecular acceptors (SMAs) with promising photovoltaic properties for high-efficiency fullerene-free organic …

R Hussain, F Hassan, MU Khan, MY Mehboob… - Optical and Quantum …, 2020 - Springer
Non fullerene small acceptor molecules in organic photovoltaics are proven beneficial than
the traditional fullerene based acceptors for their fine contribution in organic solar cells …

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 …

Efficient designing of triphenylamine-based hole transport materials with outstanding photovoltaic characteristics for organic solar cells

R Hussain, MY Mehboob, MU Khan, M Khalid… - Journal of Materials …, 2021 - Springer
Hole transport materials (HTMs), especially dopant-free hole transport materials, are getting
attention in enhancing the power conversion efficiencies and stabilities of organic solar cells …