Metal oxide nanotubes have become a widely investigated material, more specifically, self-
organized titania nanotube arrays synthesized by electrochemical anodization. As a highly …

Quantum confinement can dramatically slow down electron-phonon relaxation in
nanoclusters. Known as the phonon bottleneck, the effect remains elusive. Using a state-of …

The structural and electronic properties of the alizarin dye supported on TiO2 nanoclusters
have been examined by means of time-dependent density-functional (TD-DFT) calculations …

Novel ten organic donor-π-acceptor dyes (D-π-A), used for dye-sensitized solar cells
(DSSCs), based on thiazolothiazole were studied by density functional theory (DFT) and …

Dye-sensitized solar cells based on organic dyes have attracted considerable attention in
recent years. These dyes present important differences in geometry and electronic structure …

The geometry, electronic structure, polarizability and hyperpolarizability of organic dye
sensitizer TA-St-CA, which contains a π-conjugated oligo-phenylenevinylene unit with an …

This study explores the photophysics of graphene quantum dots (GQDs) and iridium
complexes, and their nanocomposites using density functional theory calculations. We …

The geometries, electronic structures, polarizabilities and hyperpolarizabilities, and UV–vis
spectra of organic dye sensitizers D5, DST and DSS were studied by using density …

Abstract B3LYP/6-311G (d, p) quantum calculations are performed to optimize geometries
and obtain properties depending on the electronic and photovoltaic for some quinoxalinone …

Functionalized titanium dioxide (TiO 2) nanoparticles (NPs) with intense fluorescent dyes
are a promising tool for several technological applications ranging from photochemistry …