Structural, optical and electronic properties of copper doped TiO2: Combined experimental and DFT study

Energy Landscape of Relaxation and Interaction of an Amino Acid, Glutamine (L), on Pristine and Au/Ag/Cu-Doped TiO2 Surfaces

“…While it would also be interesting to study ways to dope TiO 2 surfaces in the experiment and theoretically analyze the kinetic stability of such-possibly thermodynamically metastable-substrates (without the addition of glutamine, which takes place in the second step which is the one analyzed in our study), this is not in the purview of this study where we assume the availability of such a surface; note that we are in the low-doping limit (only one Ti atom has been substituted by a dopant atom). Here, we focused on the glutamine-(doped/undoped) substrate interactions, and we did not investigate the issues associated with the doping of anatase surfaces and their general properties and experimental realizability-for discussions of the effect of low doping concentration on the electronic/catalytic properties of TiO 2 , in experimental and computational studies (DFT), we refer to the literature [55][56][57][58][59][60].…”

Constructing Cu defect band within TiO2 and supporting NiOx nanoparticles for efficient CO2 photoreduction

“…[8][9][10] Among these, Cu ion doping stands out as a widely utilized approach due to its ability to efficiently narrow the bandgap of TiO 2 , creating additional defect states. 11,12 These defects, serving as active trap centers for electrons, play a crucial role in mitigating charge carrier recombination. Cu ion doping not only facilitates bandgap narrowing but also promotes the generation of oxygen vacancies (OVs) in the TiO 2 crystal, attributed to the lower ionic state compared to Ti 4+ .…”

Influence of defects on the linear and nonlinear optical properties of Cu-doped rutile TiO2 microflowers

“…It is preferable to dope 3d transition metals in TiO 2 as the d state will create midgap states that will reduce the optical bandgap. 14,15 It has been observed that Cu is a good choice as a dopant in TiO 2 . The Cu doped TiO 2 nanostructures are prepared using different methods including the solid-state reaction method, 16 electrostatic spray pyrolysis method, 14 hydrothermal method, 17 spray pyrolysis technique (A), 18 sol-gel method 19 and inert gas condensation technique.…”

“…14,15 It has been observed that Cu is a good choice as a dopant in TiO 2 . The Cu doped TiO 2 nanostructures are prepared using different methods including the solid-state reaction method, 16 electrostatic spray pyrolysis method, 14 hydrothermal method, 17 spray pyrolysis technique (A), 18 sol-gel method 19 and inert gas condensation technique. 20 In the above methods, the prepared TiO 2 nanostructures are in the mixed phase, both anatase and rutile phases.…”