Photooxidation of Water on Pristine, S- and N-Doped TiO2(001) Nanotube Surfaces: A DFT + U Study
| Autor: | S. Kenmoe, Eckhard Spohr |
|---|---|
| Rok vydání: | 2019 |
| Předmět: |
Nanotube
Anatase Photoelectrochemical oxidation Materials science Energetics Photochemistry Dissociative adsorption Surfaces Coatings and Films Electronic Optical and Magnetic Materials Condensed Matter::Materials Science General Energy S doping Density functional theory Physical and Theoretical Chemistry Physics::Atmospheric and Oceanic Physics |
| Zdroj: | The Journal of Physical Chemistry C. 123:22691-22698 |
| ISSN: | 1932-7455 1932-7447 |
| DOI: | 10.1021/acs.jpcc.9b01166 |
| Popis: | Using density functional theory calculations, we study the structure, energetics, and the photoelectrochemical oxidation of water on pristine, S-, N-, and (N + S)-doped anatase TiO2(001) nanotube (... |
| Databáze: | OpenAIRE |
| Externí odkaz: |
|