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Engineering of asymmetric A1-D1-A2-D2-A1 type non-fullerene acceptors of 4T2CSi–4F derivatives to enhance photovoltaic properties: A DFT study
Designing efficient, non-fused ring-based organic solar cells (OSCs) with high open circuit
voltage is a significant challenge. The present research proposes seven novel moieties …
voltage is a significant challenge. The present research proposes seven novel moieties …
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 …
perovskite solar cells since they have ultrafast charge mobility that improves optoelectronic …
End-capped engineering of Quinoxaline core-based non-fullerene acceptor materials with improved power conversion efficiency
Improving the light-harvesting efficiency and boosting open circuit voltage are crucial
challenges for enhancing the efficiency of organic solar cells. This work introduces seven …
challenges for enhancing the efficiency of organic solar cells. This work introduces seven …
Molecular engineering of BTO for superior photovoltaic efficiency: A DFT exploration
KW Qadir, MD Mohammadi, F Abbas… - Materials Chemistry and …, 2024 - Elsevier
Abstract In this study, Density Functional Theory (DFT) was employed using Gaussian 09
software to optimize the molecular structures of reference and designed molecules. Various …
software to optimize the molecular structures of reference and designed molecules. Various …
Increasing the photovoltaic power of the organic solar cells by structural modification of the R-P2F-based materials
Context The present study aims to improve the performance of optoelectronics and
photovoltaics by constructing an acceptor–donor-acceptor (ADA) molecule with a fullerene …
photovoltaics by constructing an acceptor–donor-acceptor (ADA) molecule with a fullerene …
Structural modification of ACA configured X–PCIC acceptor molecule for efficient photovoltaic properties with low energy loss in organic solar cells
Modification of terminal acceptors of non-fullerene organic solar cell molecule with different
terminal acceptors can help in screening of molecules to develop organic photovoltaic cells …
terminal acceptors can help in screening of molecules to develop organic photovoltaic cells …
Quantum chemical study of symmetricalnon-fullerene acceptor chromophores for organic photovoltaics
It is well reported that the fused ring acceptor modification can be an effective method for
improving the optoelectronic and photovoltaic properties of organic materials. The addition …
improving the optoelectronic and photovoltaic properties of organic materials. The addition …
Enhancing photovoltaic materials: DFT insights into structural modification of benzo [1, 2-b: 4, 5-b1] dithiophene unit (BDT)-based molecule
Four small molecule (DRTTBDT-A1 to DRTTBDT-A4) based on Benzodithiophene were
studied for their optoelectronic properties and compared to the reference molecule …
studied for their optoelectronic properties and compared to the reference molecule …
Exploring Acceptor Modification in Helicene‐Phenylamine‐Based Small Molecules for Organic and Perovskite Solar Cells
The current quantum mechanical study is focused on the fabrication of eight helicene‐
phenylamine‐based molecules (MPAM1–MPAM8) to investigate their photovoltaic (PV) and …
phenylamine‐based molecules (MPAM1–MPAM8) to investigate their photovoltaic (PV) and …
Star-shaped small donor molecules based on benzotriindole for efficient organic solar cells: A DFT study
Context The purpose of the S01–S05 series of end-capped modified donor chromophores is
to amplify the energy conversion efficiency of organic solar cells. Using quantum chemical …
to amplify the energy conversion efficiency of organic solar cells. Using quantum chemical …