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Exploring the optoelectronic properties of Flavylium cations as acceptors in organic solar Cells: DFT/TD-DFT investigations
This study probes the potential use of 12 naturally occurring Flavylium-based cations as non-
fullerene acceptors (NFAs) in organic solar cells (OSCs). Performing density functional …
fullerene acceptors (NFAs) in organic solar cells (OSCs). Performing density functional …
In this quantum approach, by adding bridge/π-spacer fragments between the donor and
acceptor parts of a newly constructed DF-PCIC (A–D–A type) molecule, it is the aim to …
acceptor parts of a newly constructed DF-PCIC (A–D–A type) molecule, it is the aim to …
Designing of the indacenodithiophene core-based small molecules for optoelectronic applications: a DFT approach
With the intention of utilizing computational methods to amplify the photovoltaic ability of
organic solar cells, DFT (density functional theory) and TD-DFT (time-dependent density …
organic solar cells, DFT (density functional theory) and TD-DFT (time-dependent density …
Design of new bithieno thiophene (BTTI) central core-based small molecules as efficient hole transport materials for perovskite solar cells and donor materials for …
This present study focuses on designing five bithienothiophene (BTTI) central core-based
small molecules (MPA-BTTI-A1-MPA-BTTI-A5) in exploring the optoelectronic properties to …
small molecules (MPA-BTTI-A1-MPA-BTTI-A5) in exploring the optoelectronic properties to …
Impact of side-chain engineering on the A-π-D-π-A type SM-BF1 donor molecule for bulk heterojunction and their photovoltaic performance: A DFT approach
A hot topic in the field of photovoltaics is to minimize the energy loss during exciton
dissociation by maximizing the balance between the acceptors and donors in the light …
dissociation by maximizing the balance between the acceptors and donors in the light …
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 …
Impact of end-group modifications and planarity on BDP-based non-fullerene acceptors for high-performance organic solar cells by using DFT approach
With the aim to enhance the photovoltaic properties of organic solar cells (OSCs), seven
new non-fullerene acceptors (K1–K7) have been designed by end-group modifications of …
new non-fullerene acceptors (K1–K7) have been designed by end-group modifications of …
Efficient side-chain engineering of thieno-imidazole salt-based molecule to boost the optoelectronic attributes of organic solar cells: A DFT approach
This study focused on modeling and density functional theory (DFT) analysis of reference
(AI1) and designed structures (AI11-AI15), based on the thieno-imidazole core, in order to …
(AI1) and designed structures (AI11-AI15), based on the thieno-imidazole core, in order to …
A DFT approach toward designing selenophene‐based unfused small molecule acceptors by end‐capped modification for improving the photovoltaic performance of …
J Rukhsar, M Waqas, MS Akhter… - Journal of Physical …, 2024 - Wiley Online Library
In this study, we have developed a series of eight non‐fullerene acceptors, constituting A‐D‐
A type small molecules named (SS1–SS8) to enlighten the open‐circuit voltage (Voc) and …
A type small molecules named (SS1–SS8) to enlighten the open‐circuit voltage (Voc) and …
Impact of various heterocyclic π-linkers and their substitution position on the opto-electronic attributes of the A–π–D–π–A type IECIO-4F molecule: a comparative …
To investigate the consequence of different substitution positions of various π-linkers on the
photovoltaic properties of an organic solar cell molecule, we have introduced two series of …
photovoltaic properties of an organic solar cell molecule, we have introduced two series of …