The Performance Evaluation of Meso-Tetraphenyl Porphyrin and Azo Dyes as Photosensitizers in Dye-sensitized Solar Cells.

The photovoltaic properties of five different mono-azo function and meso-tetraphenyl porphyrin dyes have been investigated by computational DFT/TDDFT calculations and measurement of the J-V properties of their cells. The photovoltaic efficiency of the cells based on these dyes were determined by both experimental and theoretical methods. The efficiency-to-cost ratios of the azo-dye cells showed that they could be cheaper substitutes to porphyrin-based cells.

A DFT Study of Solvent and Substituent Effects on the Adsorptive and Photovoltaic Properties of Some Selected Porphyrin Derivatives for DSSC Application.

A DFT/TD-DFT method was employed to study the effects of structural modification and solvent variation on the solubility, adsorptive, and photovoltaic properties of six porphyrins (A-F) obtained by structurally modifying two literature porphyrins A and D. The properties of interest were studied in vacuum, acetonitrile (AcCN), dichloromethane (DCM), dimethyl sulphoxide (DMSO), and ethanol (EtOH) for possible application of the molecules as sensitizers in dye-sensitized solar cells (DSSCs). Electronic absorption properties of the molecules were computed via potential energy surface scan, and thermodynamic data were obtained by DFT calculations in the selected media.

I-V Curves of an Apigenin Dye and Their Analysis by a New Parabolic Function.

A new parabolic function for I-V curves' analysis has been proposed. The new "analytical tool" provides a simple way to describe photophysical processes at an approximately monolayer surface of a dye-sensitized solar cell. It may now be possible to estimate factors such as hole-electron recombination, surface defects, and electron diffusion at the semiconductor layer.

Supramolecular architecture in 1:1 cocrystal of -carbamothioylacetamide and ,-thiocarbonyldiacetamide from the attempted synthesis of 1,3-diacetyl-2-thioxoimidazolidine-4,5-dione (a thioparabanic acid derivative).

An attempt to synthesize thioparabanic acid as precursor to other fused heterocyclic compounds, by a microwave assisted multistep one-pot reaction yielded a co-crystal of -carbamothioylacetamide (NCTA) and ,-thiocarbonyldiacetamide (NNTCA) which is being reported in this paper. The structure of -carbamothioylacetamide and -thiocarbonyldiacetamide from the attempted synthesis of 1,3-diacetyl-2-thioxoimidazolidine-4,5-dione, CHNOS.CHNOS, has triclinic () symmetry.

Anticancer Activity Study and Density Functional/Time-Dependent Density Functional Theory (DFT/TD-DFT) Calculations of 2(3),9(10),16(17),23(24)-Tetrakis-(6-Methylpyridin-2-Yloxy)Phthalocyaninato Zn(II).

Photodynamic therapy (PDT) is one of the major therapeutic methods for the treatment of infectious diseases and cancer. Recently, cell culture has been used to determine the effect of a given substance on various pathological conditions, such as cancer. In this study, we aimed to investigate the effect of a Zn- phthalocyanine (ZnPc) derivative on selected cancer cells via a cell culture medium.

Optical limiting properties of 3,5-dipyrenylvinyleneBODIPY dyes at 532nm.

The optical limiting (OL) properties of 3,5-dipyrenylvinyleneBODIPY dyes that contain both electron withdrawing and donating moieties have been investigated by using the z-scan technique at 532nm in the nanosecond pulse range. The extension of the π-conjugation at the 3,5-positions with pyrenylvinylene groups results in a ca. 200nm red shift of the main BODIPY spectral band to ca.

Optical nonlinearities in non-peripherally substituted pyridyloxy phthalocyanines: a combined effect of symmetry, ring-strain and demetallation.

The optical nonlinearities of six non-peripherally-substituted pyridyloxy phthalocyanines have been studied at 532 nm using a nanosecond Z-scan technique in a dimethyl sulphoxide solution. Ring-strain effects and the absence of a metal center were found to greatly reduce the inherent high nonlinearities expected of some of these phthalocyanine complexes. Of the six molecules investigated, 1(4),8(11),15(18),22(25)-tetrakis-(2-pyridyloxy)phthalocyaninato lead(II) 3, 1(4),8(11),15(18),22(25)-tetrakis-(2-pyridyloxy)phthalocyanine 5, and 1(4),8(11),15(18),22(25)-tetrakis-(4-pyridyloxy)phthalocyanine 6 were found to exhibit negligible nonlinear optical behavior, due to either the absence of asymmetry or central metal and/or the presence of a ring-strain effect.