DFT Investigation on the Electronic and Water Adsorption Properties of Pristine and N-Doped TiO2 Nanotubes for Photocatalytic Water Splitting Applications

• Main Authors: Enriquez, John Isaac G., Moreno, Joaquin Lorenzo V., David, Melanie Y., Arboleda, Nelson B., Lin, Ong Hui, Villagracia, Al Rey C.
• Format: text
• Published: Animo Repository 2017
• Online Access: https://animorepository.dlsu.edu.ph/faculty_research/837; https://animorepository.dlsu.edu.ph/context/faculty_research/article/1836/type/native/viewcontent
• Institution: De La Salle University

© 2017, The Minerals, Metals & Materials Society. Experimental studies have shown the production of hydrogen through a photocatalytic water splitting process using a titanium dioxide nanotube (TiO2NT) as a photoelectrode. In this study, a theoretical model of pristine and nitrogen-doped TiO2NT b...