Water Splitting on Transition Metal Active Sites at TiO2‑Based Electrodes: A Small Cluster Study

• Published in: Journal of physical chemistry. C Vol. 120; no. 45; pp. 25851 - 25860
• Main Authors: Rodríguez-Hernández, F, Tranca, D. C, Martínez-Mesa, A, Uranga-Piña, Ll, Seifert, G
• Format: Journal Article
• Language: English
• Published: American Chemical Society 17.11.2016

We investigate the influence of doping TiO2 surfaces with transition metals (TMs) on the performance of TiO2-based electrodes for the water-splitting electrochemical reaction. Two cluster models of the TM-doped active sites which resemble both the TiO2 anatase (001) and rutile (110) surfaces are con...