Catalytic activity of the TiO2 nanotube in the water splitting process
| Grant number: | 16/25500-4 |
| Support type: | Scholarships in Brazil - Post-Doctorate |
| Effective date (Start): | May 01, 2017 |
| Effective date (End): | April 30, 2020 |
| Field of knowledge: | Engineering - Materials and Metallurgical Engineering |
| Principal Investigator: | Julio Ricardo Sambrano |
| Grantee: | Naiara Letícia Marana |
| Home Institution: | Faculdade de Ciências (FC). Universidade Estadual Paulista (UNESP). Campus de Bauru. Bauru , SP, Brazil |
| Associated research grant: | 13/07296-2 - CDMF - Center for the Development of Functional Materials, AP.CEPID |
Abstract The computational simulation through methods of electronic structure can help toconfirm or predict information obtained from experiments. It has also contributed to theimprovement in applications in various fields of science in special in Materials Technology.With the help of computational simulation, many studies aim the development andimprovement of nanomaterials in the most diverse ways, besides the increasing number ofapplications and properties until then unknown at macroscopic level.In particular, nanotubes of semiconductor materials have presented variousapplications which covers since biomedicine in its development of nano drug carriers untilelectronic devices such as solar cells, gas sensors, photo catalysis, among others.However, despite the progress of research on nanotubes, there are few theoreticalwork aiming the study of properties and characterization of those one-dimensionalnanostructures. In this context, this project aims a detailed study of semiconductor materialsnanotubes that will function through interfaces with other systems with the same crystallinestructure, such as ZnO/GaN and GaN/InN, gas adsorption and organic molecules (NH3,NH2, NO2, O2, CO and CO2) to be studied through the structural, electronic, mechanical,vibrational analysis and electronic density. (AU) | |