Tag Archives: density functional theory

How carbon monoxide interacts with the rutile titania surface?

Carbon monoxide (CO) and titanium dioxide (TiO2) are among the most studied probe molecules and metal oxide single crystalline supports in surface science, respectively. The variations in the adsorption infrared or ultraviolet-visible spectra of CO have been

On the performance of ruthenium dyes in dye sensitized solar cells

Dye Sensitized Solar Cells are a novel type of solar cells converting sunlight energy into electricity at an efficiency of 12%. These devices are based on Michael Gratzel´s invention, where one electrode of a photo pile is