Project abstract for group gladfelt

Computational Study of Molecular Dyes and Surface Chemistry of Atomic Layer Deposition (ALD)

This group's work with organic dyes for dye sensitized solar cells (DSSCs) is furthered by computational work to understand the dye’s structure, orbital density, and energy levels. The experimental data yields binding constants and electron transfer rates of dyes to zinc oxide nanocrystals. Understanding this information can assist in creating better dyes for DSSCs by improving binding and electron transfer efficiency. The dye project will focus on terthiophenes with the possibility of investigating rhenium-based compounds.

A second project studying the surface chemistry in atomic layer deposition (ALD) is ongoing. In the case of the ALD work, these researchers have been able to detect a chemical signal of a reaction byproduct. Studies have focused on determining intermediates in the ALD process to better understand a partial mechanism of depositing the ALD films that is consistent with the data. Current work will focus on investigating organocopper and organotin complexes and reactive intermediates.

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