Enhanced photoelectric and photocatalysis performances of quinacridone derivatives by forming D-π-AA structure
D Zhao, RM Saputra, P Song, Y Yang, F Ma, Y Li - Solar Energy, 2020 - Elsevier
Five D-π-AA type of heterocyclic polycyclic aromatic hydrocarbons (hetero-PAHs) organic
molecules with quinacridone (QA) derivatives as the core bridge connected with different …
molecules with quinacridone (QA) derivatives as the core bridge connected with different …
Electron donating effect of amine groups on charge transfer and photophysical properties of 1, 3-diphenyl-1H-pyrazolo [3, 4-b] quinolone at molecular and solid state …
Abstract Effect of various electron donating amines, ie, dimethylamine (DMA),
diphenylamine (DPA), phenylnaphthylamine (PNA) and dinaphthylamine (DPA) at 6 position …
diphenylamine (DPA), phenylnaphthylamine (PNA) and dinaphthylamine (DPA) at 6 position …
[HTML][HTML] The TDDFT excitation energies of the BODIPYs; the DFT and TDDFT challenge continues
The derivatives of 4, 4-difluoro-4-bora-3a, 4a-diaza-s-indacene (BODIPY) are pivotal
ingredients for a large number of functional, stimuli-responsive materials and therapeutic …
ingredients for a large number of functional, stimuli-responsive materials and therapeutic …
New semi-rigid triphenylamine donor moiety for D-π-A sensitizer: Theoretical and experimental investigations for DSSCs
LL Estrella, SH Lee, DH Kim - Dyes and Pigments, 2019 - Elsevier
Four novel dyes featuring new semi-rigid triphenylamine donor groups have been
synthesized and successfully employed as sensitizers in dye-sensitized solar cells (DSSCs) …
synthesized and successfully employed as sensitizers in dye-sensitized solar cells (DSSCs) …
Theoretical design and characterization of NIR porphyrin-based sensitizers for applications in dye-sensitized solar cells
LL Estrella, DH Kim - Solar Energy, 2019 - Elsevier
New porphyrin-based dyes were designed by modifying the acceptor and donor groups of
the champion SM315 dye. The modified acceptor units of the new dyes rendered stronger …
the champion SM315 dye. The modified acceptor units of the new dyes rendered stronger …
Theoretical Insights into DD-π-A Sensitizers Employing N-Annulated Perylene for Dye-Sensitized Solar Cells
LL Estrella, MP Balanay, DH Kim - The Journal of Physical …, 2018 - ACS Publications
This paper reports new DD-π-A dyes based on N-annulated perylene, emphasizing the
enhanced dye-to-semiconductor charge-transfer mechanism. A series of DFT calculations …
enhanced dye-to-semiconductor charge-transfer mechanism. A series of DFT calculations …
Computational investigation, effects of polar and non-polar solvents on optimized structure with topological parameters (ELF, LOL, AIM, and RDG) of three glycine …
T Manickavelu, B Govindrajan, M Sambantham… - Structural Chemistry, 2022 - Springer
In this study, the density functional theory (DFT) technique was used to investigate the
structurally related three compounds of N-BgEE, N-Bg, and GEE. The optimized structures …
structurally related three compounds of N-BgEE, N-Bg, and GEE. The optimized structures …
A comparative study on photophysics of meso-substituted mono-and bis-BODIPY carbazoles
A comparative study of the photophysics of mono-and bis-BODIPY (BDP) substituted N-
butylcarbazoles (CBZ): CBZ-BDP and CBZ-bisBDP has been carried out. The longest …
butylcarbazoles (CBZ): CBZ-BDP and CBZ-bisBDP has been carried out. The longest …
Exploring the electronic, optical and charge transfer properties of acene-based organic semiconductor materials
A Irfan, AG Al-Sehemi, MA Assiri… - Bulletin of Materials …, 2019 - Springer
In order to tune the optoelectronic and charge transfer properties of 4, 6-di (thiophen-2-yl)
pyrimidine (1), some new compounds were designed, ie, 4, 6-bis (benzo [b] thiophen-2-yl) …
pyrimidine (1), some new compounds were designed, ie, 4, 6-bis (benzo [b] thiophen-2-yl) …
Molecular engineering of anchoring groups for designing efficient triazatruxene-based organic dye-sensitized solar cells
Herein, we present a theoretical investigation of a series of metal-free organic dyes
containing triazatruxene to explore the effect of designed anchoring groups on their …
containing triazatruxene to explore the effect of designed anchoring groups on their …