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 …
Exploring the impact of electron acceptor tuning in D-π-A′-π-A photosensitizers on the photovoltaic performance of acridine-based DSSCs: A DFT/TDDFT …
Nine novel organic molecules with D-π-A′-π-A motifs, designated as (Ac-TQ sT-CA) and
(Ac-TB xT-CA), were proposed as potential photosensitizers for use in dye-sensitized solar …
(Ac-TB xT-CA), were proposed as potential photosensitizers for use in dye-sensitized solar …
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 …
Designing of symmetrical ADA type non-fullerene acceptors by side-chain engineering of an indacenodithienothiophene (IDTT) core based molecule: A computational …
Recently, non-fullerene organic solar cells (OSCs) have shown efficiency values exceeding
18%. They have shown tremendous improvements in the last decade and are now about to …
18%. They have shown tremendous improvements in the last decade and are now about to …
The role of the donor group and electron-accepting substitutions inserted in π-linkers in tuning the optoelectronic properties of D–π–A dye-sensitized solar cells: a DFT …
H Roohi, N Mohtamadifar - RSC advances, 2022 - pubs.rsc.org
The design of low-cost and high-efficiency sensitizers is one of the most important factors in
the expansion of dye-sensitized solar cells (DSSCs). To obtain effective sensitizer dyes for …
the expansion of dye-sensitized solar cells (DSSCs). To obtain effective sensitizer dyes for …
Pyrene molecular orbital shuffle—controlling excited state and redox properties by changing the nature of the frontier orbitals
J Merz, J Fink, A Friedrich… - … A European Journal, 2017 - Wiley Online Library
We show that by judicious choice of substituents at the 2‐and 7‐positions of pyrene, the
frontier orbital order of pyrene can be modified, giving enhanced control over the nature and …
frontier orbital order of pyrene can be modified, giving enhanced control over the nature and …
Molecular engineering strategies of spectral matching and structure optimization for efficient metal-free organic dyes in dye-sensitized solar cells: A theoretical study
T Zheng, S Huang, Y Liu, Z Li, X Kong… - The Journal of …, 2024 - ACS Publications
Metal-free organic dyes are promising dyes that can be applied widely in dye-sensitized
solar cells (DSSCs). The rational design and selection of dyes with complementary …
solar cells (DSSCs). The rational design and selection of dyes with complementary …
Theoretical exploration of 1, 3-Indanedione as electron acceptor-cum-anchoring group for designing sensitizers towards DSSC applications
The present work highlights the DFT and TD-DFT calculations of a few organic sensitizers
designed based on a new electron-acceptor, 1, 3-indanedione, which is a well-known …
designed based on a new electron-acceptor, 1, 3-indanedione, which is a well-known …
Molecular engineering of the fused azacycle donors in the DA-π-A metal-free organic dyes for efficient dye-sensitized solar cells
Four novel DA-π-A metal-free organic sensitizers QL1–4 with the fused azacycle units as
donors have been designed and synthesized to investigate the relationship between both …
donors have been designed and synthesized to investigate the relationship between both …