Enriching the compositional tailoring of NLO responsive dyes with diversity oriented electron acceptors as visible light harvesters: a DFT/TD-DFT approach
The end-capped modelling of non-fullerene acceptor (NFA) units have been performed onto
the structure of a dithiophene-based 6, 6′-di (thiophen-2-yl)-4, 4′-bipyrimidine (DTB) …
the structure of a dithiophene-based 6, 6′-di (thiophen-2-yl)-4, 4′-bipyrimidine (DTB) …
Novel pull–push organic switches with D–π–A structural designs: computational design of star shape organic materials
The structural alteration with π-linkers was used to design a donor–acceptor type series of 2,
2′-(pyrimidine-4, 6-diyl) bis (2, 3-dihydro-1, 3-benzothiazole)(PB)-based chromophores …
2′-(pyrimidine-4, 6-diyl) bis (2, 3-dihydro-1, 3-benzothiazole)(PB)-based chromophores …
Structurally modulated D-π-DA(Semiconductor) anchoring dyes to enhance the tunable NLO response: a DFT/TDDFT quest for new photovoltaic materials
In this paper, we designed new dyes (D-1 to D-5) with anchoring groups to test their stability
for semiconductor surfaces with silyl unit as dye-sensitized solar cells (DSSCs). To …
for semiconductor surfaces with silyl unit as dye-sensitized solar cells (DSSCs). To …
A DFT study on new photovoltaic dyes to investigate their NLO tuning at near infrared region (NIR) as pull–push effect by end capped acceptors
Throughout the opto-electronic devices industry, organic materials with considerable
nonlinear optical (NLO) capabilities are being used. By employing 4, 6-di (thiophen-2-yl) …
nonlinear optical (NLO) capabilities are being used. By employing 4, 6-di (thiophen-2-yl) …
Enhancing NLO performance by utilizing tyrian purple dye as donor moiety in organic DSSCs with end capped acceptors: A theoretical study
A series of new organic dyes (T1-T6) with nonfullerene acceptors have been theoretically
designed around the chemical structure of tyrian purple (T) natural dye. For their ground …
designed around the chemical structure of tyrian purple (T) natural dye. For their ground …
Structural and electronic (absorption and fluorescence) properties of a stable triplet diphenylcarbene: a DFT study
Abstract A triplet diphenylcarbene, bis [3-bromo-5-(trifluoromethyl)[1, 1'-biphenyl]-4-yl]
methylidene (B3B), with exceptional stability was discovered by chemists from Japan's Mie …
methylidene (B3B), with exceptional stability was discovered by chemists from Japan's Mie …
Exploration of pull–push effect for novel photovoltaic dyes with A–π–D design: a DFT/TD-DFT investigation
AU Hassan, SH Sumrra - Journal of Fluorescence, 2022 - Springer
The π-rich versus π-poor units in 4, 6-di (thiophen-2-yl) pyrimidine (DTB) alternating the π-
backbone of solar cells dyes have been extended with a push–pull technique to lower their …
backbone of solar cells dyes have been extended with a push–pull technique to lower their …
Efficient and tunable enhancement of NLO performance for indaceno-based donor moiety in A-π-D-π-D-π-A type first DSSC design by end-capped acceptors
Background The organic dyes with non-fullerene acceptors (NFAs) have aided in the
creation of competitive organic solar cells (OSCs) with long-term sustainability. A series of …
creation of competitive organic solar cells (OSCs) with long-term sustainability. A series of …
Creating intense and refined NLO responses by utilizing dual donor structural designs in A-π-D-π-D-π-A type organic switches: computed device parameters
New organic dyes (H1-H6) for their promising applications as dye sensitized solar cell
(DSSCs) were theoretically designed from 6, 6′-di (thiophen-2-yl)-4, 4′-bipyrimidine (TB) …
(DSSCs) were theoretically designed from 6, 6′-di (thiophen-2-yl)-4, 4′-bipyrimidine (TB) …
Novel pull–push solar switches with a D-π-D-π-A framework of the thiophene core: computed absorbance/fluorescence ability with device parameters
Abstract The new design of 6, 6′-di (thiophen-2-yl)-4, 4′-bipyrimidine (DTB)-based
organic dyes (TCIT1-TCIT6) for dye-sensitized solar cell (DSSC) application was …
organic dyes (TCIT1-TCIT6) for dye-sensitized solar cell (DSSC) application was …