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 ...
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 ...
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 ...
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 ...
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 ...