The nature of vertical excited states of dyes containing metals for DSSC applications: insights from TD-DFT and density based indexes
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A simple one-step heat-treatment of peroxotitanate complex aqueous solution at around 100 degrees C was resulted in the formation of ellipsoidal anatase TiO2 nanoparticles having a high aspect ratio with no branches. The length of these ellipsoidal TiO2 fa ...
A dye sensitized solar cell, wherein a compacting compound whose molecular structure comprises a terminal group, a hydrophobic part and an anchoring group is co-adsorbed together with the dye on the semi-conductive metal oxide layer of the photoanode, form ...
A phenomenally high molar extinction coefficient heteroleptic ruthenium(II) complex [Ru(4,4′-carboxylic acid-2,2′- bipyridine)(4,4′-(4-{4-methyl-2,5-bis[3-methylbutoxy]styryl}-2,5-bis[3- methylbutoxy]-2,2′-bipyridine)(NCS)2] (DCSC13) was synthesized by inco ...
In this paper, we present a simulation platform designed to study coupled charge transport in dye-sensitized solar cell (DSC) devices. The platform, SLICE, is used to study the influence of ions in the electrolyte on electron transport in the nanoporous me ...
The integrated absorption of the b1 - X transition of the Me radical (2160 .ANG.) and the B - X transition of the allyl radical (2100-2400 .ANG.) were compared, in the flash photolysis of 1-butene. From the f value of the Me band, the oscillator strength o ...
The authors present mol. dynamics simulations of the absorption spectra of the Hg2 mol. in solid Ne, Ar, and Xe. The simulations were performed using classical mol. dynamics (MD) and a diat.-in-mols. (DIM) treatment of the mixing of the different states of ...