Nanoparticles of Cadmium Nitrate and Cobalt Nitrate Complexes Bearing Phosphoramide Ligands Designed for Application in Dye Sensitized Solar Cells

2014 ◽  
Vol 137 (1) ◽  
Author(s):  
Zahra Shariatinia ◽  
Razieh Shajareh Tuba
Keyword(s):  
Solar Cells ◽  
Band Gap ◽  
Density Functional ◽  
Ultrasonic Method ◽  
Dye Sensitized Solar Cells ◽  
Cobalt Nitrate ◽  
Cadmium Nitrate ◽  
Dye Sensitized ◽  
Sensitized Solar Cells ◽  
Nitrate Complexes

In this study, using ultrasonic method, nanoparticles of a new phosphoramide compound and its cobalt nitrate and cadmium nitrate complexes with formula (4-NO2-C6H4NH)P(O)Cl(NH-C5H4N-2) = L (1), Co(NO3)2(L)(CH3OH) (2), Cd(NO3)2(L)(CH3OH) (3) were synthesized and characterized by 31P, 1H, 13C NMR, fourier transform infrared (FT-IR), ultraviolet–visible (UV-Vis), fluorescence spectroscopy, and elemental analysis as well as field-emission scanning electron microscopy (FE-SEM), transmission electron microsopy (TEM), and XRD techniques. The FE-SEM and high-resolution TEM (HR-TEM) analyses showed that particle sizes of the compounds 1–3 are about 20–50 nm. The compounds 1–3 were utilized as dyes for adsorption of light in dye sensitized solar cells (DSSCs) and the efficiencies of the cells were obtained equal to 0.42%, 0.49%, 0.54%, respectively. The analysis of band gap with density functional theory (DFT) calculations revealed that it decreases in the order 1 > 2 > 3, which is in consistent with the band gaps measured from fluorescence spectra. Comparing the conversion efficiencies of the three dyes illustrated that compound 3 with the smallest band gap yields the greatest efficiency.

scholarly journals Electronic, Structural, and Optical Structure of Mono-Doped and Co-Doped (210) TiO2 Brookite Surfaces for Application in Dye-Sensitized Solar Cells—A First Principles Study

Materials ◽  
2021 ◽  
Vol 14 (14) ◽  
pp. 3918
Author(s):  
Ratshilumela S. Dima ◽  
Lutendo Phuthu ◽  
Nnditshedzeni E. Maluta ◽  
Joseph K. Kirui ◽  
Rapela R. Maphanga
Keyword(s):  
Solar Cells ◽  
Band Gap ◽  
Dye Sensitized Solar Cells ◽  
Visible Region ◽  
Electromagnetic Spectrum ◽  
Doped Tio2 ◽  
Dye Sensitized ◽  
Sensitized Solar Cells ◽  
Co Doped ◽  
Optical Structure

Titanium dioxide (TiO2) polymorphs have recently gained a lot of attention in dye-sensitized solar cells (DSSCs). The brookite polymorph, among other TiO2 polymorphs, is now becoming the focus of research in DSSC applications, despite the difficulties in obtaining it as a pure phase experimentally. The current theoretical study used different nonmetals (C, S and N) and (C-S, C-N and S-N) as dopants and co-dopants, respectively, to investigate the effects of mono-doping and co-doping on the electronic, structural, and optical structure properties of (210) TiO2 brookite surfaces, which is the most exposed surface of brookite. The results show that due to the narrowing of the band gap and the presence of impurity levels in the band gap, all mono-doped and co-doped TiO2 brookite (210) surfaces exhibit some redshift. In particular, the C-doped, and C-N co-doped TiO2 brookite (210) surfaces exhibit better absorption in the visible region of the electromagnetic spectrum in comparison to the pure, S-doped, N-doped, C-S co-doped and N-S co-doped TiO2 brookite (210) surfaces.

scholarly journals In Depth Analysis of Photovoltaic Performance of Chlorophyll Derivative-Based “All Solid-State” Dye-Sensitized Solar Cells

Molecules ◽  
2020 ◽  
Vol 25 (1) ◽  
pp. 198 ◽  
Author(s):  
Michèle Chevrier ◽  
Alberto Fattori ◽  
Laurent Lasser ◽  
Clément Kotras ◽  
Clémence Rose ◽  
...  
Keyword(s):  
Solar Cells ◽  
Solid State ◽  
Density Functional ◽  
Photovoltaic Performance ◽  
Dye Sensitized Solar Cells ◽  
Hole Transport ◽  
Tio2 Electrode ◽  
Dye Sensitized ◽  
Depth Analysis ◽  
Sensitized Solar Cells

Chlorophyll a derivatives were integrated in “all solid-state” dye sensitized solar cells (DSSCs) with a mesoporous TiO2 electrode and 2′,2′,7,7′-tetrakis[N,N-di(4-methoxyphenyl)amino]-9,9′-spirobifluorene as the hole-transport material. Despite modest power conversion efficiencies (PCEs) between 0.26% and 0.55% achieved for these chlorin dyes, a systematic investigation was carried out in order to elucidate their main limitations. To provide a comprehensive understanding of the parameters (structure, nature of the anchoring group, adsorption …) and their relationship with the PCEs, density functional theory (DFT) calculations, optical and photovoltaic studies and electron paramagnetic resonance analysis exploiting the 4-carboxy-TEMPO spin probe were combined. The recombination kinetics, the frontier molecular orbitals of these DSSCs and the adsorption efficiency onto the TiO2 surface were found to be the key parameters that govern their photovoltaic response.

Influence of Electron Injection Rate in Triphenylamine Based Dye for Dye-Sensitized Solar Cells: A First Principle Study

2019 ◽  
Vol 233 (9) ◽  
pp. 1247-1259
Author(s):  
Madhu Prakasam
Keyword(s):  
Solar Cells ◽  
Absorption Spectra ◽  
Density Functional ◽  
Dye Sensitized Solar Cells ◽  
Visible Region ◽  
Electron Injection ◽  
Injection Rate ◽  
Visible Absorption ◽  
Dye Sensitized ◽  
Sensitized Solar Cells

Abstract In this work, we systematically investigate the impacts of electron-donor based on Triphenylamine (TPA). The Geometry structure, energy levels, light-harvesting ability and ultraviolet-visible absorption spectra were calculated by using Density Functional Theory (DFT) and Time-Dependent-DFT. The electron injection rate of the TPA-N(CH3)2 based dyes has 0.71 eV for high among the dye sensitizer. The First and Second order Hyperpolarizability of the 11.95 × 10−30 e.s.u and 12195.54 a.u, respectively for TPA-N(CH3)2 based dye. The calculated absorption spectra were showed in the ultra-violet visible region for power conversion region. The study reveals that the electron transfer character of TPA-N(CH3)2 based dyes can be made suitable for applications in Dye-Sensitized Solar Cells.

scholarly journals A New Organic Dye Cordia sebestena Sensitized Solar Cell with Current-Voltage Characteristics

2019 ◽  
Vol 32 (2) ◽  
pp. 342-348
Author(s):  
M. Rekha ◽  
M. Kowsalya
Keyword(s):  
Solar Cells ◽  
Density Functional ◽  
Sol Gel ◽  
Dye Sensitized Solar Cells ◽  
Natural Dye ◽  
Gel Method ◽  
Sol Gel Method ◽  
Dye Sensitized ◽  
Morphological Studies ◽  
Sensitized Solar Cells

Titanium dioxide nanoparticles have been synthesized by a novel modified sol-gel for the fabrication of natural dye sensitized solar cells. The natural photo sensitizer extracted from Cordia sebestena flower was mixed with the precursor solution. The flower dye has put the effort of a surfactant which has resulted colourized TiO2 instead of white TiO2. Whencompared to the conventional sol-gel method, this modified process has enhanced the properties of TiO2 like, morphology, uniformity in dye absorption. It has reduced the agglomeration of TiO2 and dye aggregation significantly. The optimized molecular geometry of sebestenoid D, the major pigment of Cordia sebestena and HOMO-LUMO plot are found using density functional theory. The TiO2 nanoparticles were subjected to structural, optical, spectral and morphological studies which showed improved properties in modified sol-gel process. Ecofriendly and low-cost natural dye sensitized solar cells (DSSC) were fabricated using conventional and pre-dye treated TiO2 sensitized by Cordia sebestena flower extract. The I-V studies showed the solar light photon to electron conversion efficiencies of 0.87 and 1.28 % for sol-gel and modified sol-gel methods, respectively. There has been an enhancement in efficiency by 47 % in modified sol-gel method which is very much promising in terms of efficiency for natural dye sensitized solar cells.

scholarly journals Towards Rational Designing of Efficient Sensitizers Based on Thiophene and Infrared Dyes for Dye-Sensitized Solar Cells

2014 ◽  
Vol 2014 ◽  
pp. 1-6 ◽  
Author(s):  
Ahmad Irfan ◽  
Abdullah G. Al-Sehemi ◽  
Shabbir Muhammad
Keyword(s):  
Density Functional Theory ◽  
Solar Cells ◽  
Molecular Orbital ◽  
Density Functional ◽  
Energy Gap ◽  
Dye Sensitized Solar Cells ◽  
Functional Theory ◽  
Dye Sensitized ◽  
Orbital Energies ◽  
Sensitized Solar Cells

Geometries, electronic properties, and absorption spectra of the dyes which are a combination of thiophene based dye (THPD) and IR dyes (covering IR region; TIRBD1-TIRBD3) were performed using density functional theory (DFT) and time dependent density functional theory (TD-DFT), respectively. Different electron donating groups, electron withdrawing groups, and IR dyes have been substituted on THPD to enhance the efficiency. The bond lengths of new designed dyes are almost the same. The lowest unoccupied molecular orbital energies of designed dyes are above the conduction band of TiO2 and the highest occupied molecular orbital energies are below the redox couple revealing that TIRBD1-TIRBD3 would be better sensitizers for dye-sensitized solar cells. The broad spectra and low energy gap also showed that designed materials would be efficient sensitizers.

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