Theoretical Study of Phenothiazine Organic Dyes with Different Spacers for Dye-Sensitised Solar Cells

2019 ◽  
Vol 72 (4) ◽  
pp. 244
Author(s):  
Ihssène Ouared ◽  
Mâammar Rekhis ◽  
Mohamed Trari
Keyword(s):  
Solar Cells ◽  
Absorption Maximum ◽  
Density Functional ◽  
Theoretical Study ◽  
Organic Dyes ◽  
Photovoltaic Properties ◽  
Functional Theory ◽  
Acceptor Group ◽  
Overall Efficiency ◽  
Acid Unit

In this paper, six organic dyes have been studied by density functional theory (DFT). The electron-acceptor group is the cyanoacrylic acid unit for all sensitisers, and the electron-donor unit is a phenothiazine (PTZ) fragment substituted by an ethynyl-pyrene unit; the π-linker was varied, and the influence was investigated. The dye bearing the divinylthiophene linker showed the highest absorption maximum. The theoretical photovoltaic properties revealed that the overall efficiency of the solar cell could be remarkably improved using the designed dyes. The results indicated that all of the studied organic dyes are good candidates as photosensitisers for dye-sensitised solar cells (DSSCs).

POM-based dyes featuring rigidified bithiophene π linkers: potential high-efficiency dyes for dye-sensitized solar cells

2020 ◽  
Vol 44 (21) ◽  
pp. 8996-9003
Author(s):  
Yu Gao ◽  
Wei Guan ◽  
Li-Kai Yan ◽  
Yan-Hong Xu
Keyword(s):  
Solar Cells ◽  
Density Functional ◽  
High Efficiency ◽  
Dye Sensitized Solar Cells ◽  
Functional Theory ◽  
Dye Sensitized ◽  
Acceptor Group ◽  
Td Dft ◽  
C And N ◽  
Sensitized Solar Cells

A series of POM-based dyes with a triphenylamine electron donor group, cyanoacrylic acid electron acceptor group and different π linkers of thiophene derivatives were systematically investigated to analyze the influence of a rigidified bithiophene with fastening atoms (C and N) on the performance of dye-sensitized solar cells (DSSCs) based on density functional theory (DFT) and time-dependent DFT (TD-DFT) calculations.

scholarly journals Double Linker Triphenylamine Dyes for Dye-Sensitized Solar Cells

Energies ◽  
2020 ◽  
Vol 13 (18) ◽  
pp. 4637
Author(s):  
Peter J. Holliman ◽  
Moneer Mohsen ◽  
Arthur Connell ◽  
Christopher P. Kershaw ◽  
Diana Meza-Rojas ◽  
...  
Keyword(s):  
Density Functional Theory ◽  
Solar Cells ◽  
Density Functional ◽  
Organic Dyes ◽  
Dye Sensitized Solar Cells ◽  
Functional Theory ◽  
Full Characterization ◽  
Dye Sensitized ◽  
Sensitized Solar Cells ◽  
Triphenylamine Dyes

Most organic dyes synthesized for dye-sensitized solar cells (DSC) use a single linker group to bind to the metal oxide photo-anode. Here we describe the synthesis and testing of two new triphenylamine dyes containing either two carboxylic acids 5-[2-(4-diphenylamino-phenyl)-vinyl]-isophthalic acid (10) or two cyanoacrylic acids (2Z, 2′Z)-3, 3′-(5-((E)-4-(diphenylamino) styryl)-1, 3-phenylene) bis (2-cyanoacrylic acid) (8) as linker groups. Full characterization data are reported for these dyes and their synthetic intermediates. DSC devices have been prepared from these new dyes either by passive or fast dyeing and the dyes have also been tested in co-sensitized DSC devices leading to a PCE (η = 5.4%) for the double cyanoacrylate linker dye (8) co-sensitized with D149. The dye:TiO2 surface interactions and dye excitations are interpreted using three modelling methods: density functional theory (at 0 K); molecular dynamics (at 298 K); time dependent density functional theory. The modelling results show the preferred orientation of both dyes on an anatase (1 0 1) TiO2 surface to be horizontal, and both the simulated and experimental absorption spectra of the dye molecules indicate a red shifted band for (8) compared to (10). This is in line with broader light harvesting and Jsc for (8) compared to (10).

scholarly journals Coplanar Donor-π-Acceptor Dyes Featuring a Furylethynyl Spacer for Dye-Sensitized Solar Cells

Materials ◽  
2019 ◽  
Vol 12 (5) ◽  
pp. 839
Author(s):  
Luis Serrano ◽  
Kwang-Won Park ◽  
Sungwoo Ahn ◽  
Alan Wiles ◽  
Jongin Hong ◽  
...  
Keyword(s):  
Solar Cells ◽  
Dft Calculations ◽  
Density Functional ◽  
Organic Dyes ◽  
Photophysical Properties ◽  
Dye Sensitized Solar Cells ◽  
Functional Theory ◽  
Dye Sensitized ◽  
Sensitized Solar Cells ◽  
Effective Charge Transfer

Coplanar metal-free organic dyes featuring a furylethynyl spacer with different donor residues (MeO-, MeS-, and Me2N-) have been synthesized. Density functional theory (DFT) calculations predicted that the Me2N- residue would facilitate more effective charge transfer from donor to acceptor than the MeO- and MeS- residues. In agreement with DFT calculations, the dye-sensitized solar cells (DSSCs) fabricated with the Me2N- functionalized dye exhibited the best power conversion efficiency (η), 2.88%. Furthermore, the effect of the furan spacer on the photophysical properties and DSSC parameters are discussed in comparison to a previously reported thiophene counterpart.

Modulating triphenylamine-based organic dyes for their potential application in dye-sensitized solar cells: a first principle theoretical study

2014 ◽  
Vol 16 (46) ◽  
pp. 25280-25287 ◽  
Author(s):  
Narendra Nath Ghosh ◽  
Arnab Chakraborty ◽  
Sougata Pal ◽  
Anup Pramanik ◽  
Pranab Sarkar
Keyword(s):  
Density Functional ◽  
Theoretical Study ◽  
Organic Dyes ◽  
Dye Sensitized Solar Cells ◽  
Time Dependent ◽  
First Principle ◽  
Functional Theory ◽  
Dye Sensitized ◽  
Photovoltaic Applications ◽  
Sensitized Solar Cells

By using computational methodologies based on time dependent density functional theory (TDDFT) we study the opto-electronic properties of three types of triphenylamine (TPA)-based dyes, namely TPA-TBT-1, TPA-DBT-1, and TPA-BT-1, and these are proposed as potential candidates for photovoltaic applications.

A Class of Semiconducting Polymers as Potential Materials for Polymer Solar Cells

2013 ◽  
Vol 716 ◽  
pp. 177-184 ◽  
Author(s):  
Xiao Hua Xie ◽  
Wei Shen ◽  
Rong Xing He ◽  
Ming Li
Keyword(s):  
Density Functional Theory ◽  
Solar Cells ◽  
Density Functional ◽  
Polymer Solar Cells ◽  
Semiconducting Polymers ◽  
Photovoltaic Properties ◽  
Functional Theory ◽  
Good Material

In this work, fifteen polymers have been studied to test their potential as donors for polymer solar cells by density functional theory. Those polymers contained five homopolymers based on pyridazine, [1,2,thiadiazolo [3,4-pyridazine, [1,2,oxadiazole [3,4-pyridazine, isothiazolo [3,4-pyridazine and isoxazolo [3,4-pyridazine, and ten copolymers composed of the above compounds and thiophene incorporated with 1:1 and 1:2 ratios. The fifteen polymers have been examined in terms of the abilities of absorbing sunlight, stabilities in the environment, and photovoltaic properties. The results suggest that the copolymes DTHP, DTHTP, DTHOP, DTHITP, and DTHIXP are good material candidates of polymer donor for polymer solar cells.

Sign in / Sign up

Export Citation Format

Share Document