1 Result Found

Advanced Search

Select all

Results per page

Select all

Article

8 Citations

4,231 Views

26 Pages

DFT and TD-DFT Investigation of a Charge Transfer Surface Resonance Raman Model of N3 Dye Bound to a Small TiO₂ Nanoparticle

Ronald L. Birke and
John R. Lombardi

Nanomaterials2021, 11(6), 1491;https://doi.org/10.3390/nano11061491

-

4 June 2021

Raman spectroscopy is an important method for studying the configuration of Ru bipyridyl dyes on TiO2. We studied the [Ru(II)(4,4′-COOH-2,2′-bpy)2(NCS)2)] dye (N3) adsorbed on a (TiO2)5 nanoparticle using Density Functional Theory, DFT, to optimize t...

Full Article

1 Result Found

DFT and TD-DFT Investigation of a Charge Transfer Surface Resonance Raman Model of N3 Dye Bound to a Small TiO2 Nanoparticle

DFT and TD-DFT Investigation of a Charge Transfer Surface Resonance Raman Model of N3 Dye Bound to a Small TiO₂ Nanoparticle