The role of in Silico/DFT investigations in analyzing dye molecules for enhanced solar cell efficiency and reduced toxicity
Toxicity has been a significant concern for many materials used in the production of solar
cells and generally conflicts with its efficacy. Therefore, it is crucial to develop alternative …
cells and generally conflicts with its efficacy. Therefore, it is crucial to develop alternative …
Molecular level understanding of the chalcogen atom effect on chalcogen-based polymers through electrostatic potential, non-covalent interactions, excited state …
Polymer donor materials have been considered as a game changer, especially in the early
history of polymer solar cells. However, much progress is the result of hard work resulting …
history of polymer solar cells. However, much progress is the result of hard work resulting …
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 …
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 …
photophysical properties, low‐cost production, and high power conversion efficiencies. Hole …
Quantum chemical approach of donor− π–acceptor based arylborane–arylamine macrocycles with outstanding photovoltaic properties toward high-performance …
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 …
arylborane–arylamine is proposed with the motive of suggesting new organic materials for …
End-capped modification of dithienosilole based small donor molecules for high performance organic solar cells using DFT approach
Considering the worth of molecular designing, ADA type four small donor (SM1-SM4)
photoactive materials comprised of DTS core, substituted with push-pull acceptors at …
photoactive materials comprised of DTS core, substituted with push-pull acceptors at …
Designing of benzodithiophene core-based small molecular acceptors for efficient non-fullerene organic solar cells
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 …
highest efficiencies among all studied OSCs. To further improve the efficiencies of fullerene …
Molecular engineering of A–D–C–D–A configured small molecular acceptors (SMAs) with promising photovoltaic properties for high-efficiency fullerene-free organic …
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 …
the traditional fullerene based acceptors for their fine contribution in organic solar cells …
Efficient designing of triphenylamine-based hole transport materials with outstanding photovoltaic characteristics for organic solar cells
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 …
attention in enhancing the power conversion efficiencies and stabilities of organic solar cells …
Molecular designing of high‐performance 3D star‐shaped electron acceptors containing a truxene core for nonfullerene organic solar cells
End‐capped modification is a convenient strategy to enhance the photovoltaic and
electronic properties of fullerene‐free acceptor materials. In this report, five novel star …
electronic properties of fullerene‐free acceptor materials. In this report, five novel star …