Theoretical framework for achieving high V oc in non-fused non-fullerene terthiophene-based end-capped modified derivatives for potential applications in organic …
Non-fused ring-based OSCs are an excellent choice, which is attributed to their low cost and
flexibility in applications. However, develo** efficient and stable non-fused ring-based …
flexibility in applications. However, develo** efficient and stable non-fused ring-based …
End-group modification of terminal acceptors on benzothiadiazole-based BT2F-IC4F molecule to establish efficient organic solar cells
In this study utilizing an end-capped modification approach seven novel molecules were
created to improve the working of OSCs. Fullerene-free organic solar cells (OSCs) have a …
created to improve the working of OSCs. Fullerene-free organic solar cells (OSCs) have a …
Impact of end-capped modification of MO-IDT based non-fullerene small molecule acceptors to improve the photovoltaic properties of organic solar cells
Density functional theory, along with its time dependent computational approach were
employed in order to fine tune the photovoltaic attributes along with the efficiency of the MO …
employed in order to fine tune the photovoltaic attributes along with the efficiency of the MO …
End-capped modification of Y-Shaped dithienothiophen [3, 2-b]-pyrrolobenzothiadiazole (TPBT) based non-fullerene acceptors for high performance organic solar …
In this study, we have conducted several computational procedures to perform end group
modifications through thiophene bridges in Y-series acceptor (Y5) and devised five new …
modifications through thiophene bridges in Y-series acceptor (Y5) and devised five new …
Persistent organic pollutants in Chinese waterways: Occurrence, remediation, and epidemiological perspectives
Y Guoliang, D Fang, A Chowdhury, Z Aixin… - Regional Studies in …, 2022 - Elsevier
Persistent organic pollutants (POPs) are increasing in waterways due to human activities
and their concentration above a certain level is highly toxic with acute damage. In this …
and their concentration above a certain level is highly toxic with acute damage. In this …
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 …
Structural modification on Dimethoxythienothiophene based non-fullerene acceptor molecule for construction of high-performance organic chromophores by …
In this work, with the directive of increasing the power conversion efficiency of organic solar
cells, seven new acceptor molecules (N1–N7) have been designed by the end-group …
cells, seven new acceptor molecules (N1–N7) have been designed by the end-group …
DFT molecular modeling of A2-D-A1-D-A2 type DF-PCIC based small molecules acceptors for organic photovoltaic cells
S Sabir, NMA Hadia, J Iqbal, RF Mehmood… - Chemical Physics …, 2022 - Elsevier
In this study, five new compounds of A 2-DA 1-DA 2 type were developed from DF-PCIC (R)
molecule, to enhance the photo-voltaic efficiency of organic photovoltaic (OPV) devices. The …
molecule, to enhance the photo-voltaic efficiency of organic photovoltaic (OPV) devices. The …
Porphyrin and phthalocyanine heavy metal removal: overview of theoretical investigation for heterojunction organic solar cell applications
R Gara, MO Zouaghi, Y Arfaoui - Journal of Molecular Modeling, 2023 - Springer
Context Heavy metals are highly noxious, and their presence can cause diverse effects on
living organisms and the environment. Crown ether porphyrins and phthalocyanines are …
living organisms and the environment. Crown ether porphyrins and phthalocyanines are …
An approach towards low energy loss by end-capped modification of A2–D–A1–D–A2-type molecules for tuning the photovoltaic properties of organic solar cells
R Ali, S Nadeem, RA Khera, AA AlObaid… - Journal of …, 2023 - World Scientific
In this project, the study is focused on the substitution at determined sites of reference
molecule (R) to enhance optoelectronic properties, which might affect the photovoltaic …
molecule (R) to enhance optoelectronic properties, which might affect the photovoltaic …