Adsorption and (photo-) electrochemical splitting of water on rutile ruthenium dioxide
- In this work, the adsorption and splitting of the water molecule by light and/or an external potential is investigated in the frame of (photo-) electrochemical cells using a rutile ruthenium dioxide anode. With the help of periodic density functional calculations, the adsorbed structures of H(2)O and some radicals involved in the splitting process (O, OH, OOH) are obtained and compared with the available experimental results. On the basis of these electronic-structure calculations, we use a method to calculate the stability of the reaction intermediates and conclude on the thermodynamical possibility of the water splitting reaction at the surface. We demonstrate that a moderate overpotential of 0.64 V is required for the reaction to take place at the RuO(2)(110) surface.
| Verfasserangaben: | Jonas WirthGND, Serge Monturet, Tillmann KlamrothORCiDGND, Peter SaalfrankORCiDGND |
|---|---|
| DOI: | https://doi.org/10.1209/0295-5075/93/68001 |
| ISSN: | 0295-5075 |
| Titel des übergeordneten Werks (Englisch): | epl : a letters journal exploring the frontiers of physics |
| Verlag: | EDP Sciences |
| Verlagsort: | Mulhouse |
| Publikationstyp: | Wissenschaftlicher Artikel |
| Sprache: | Englisch |
| Jahr der Erstveröffentlichung: | 2011 |
| Erscheinungsjahr: | 2011 |
| Datum der Freischaltung: | 26.03.2017 |
| Band: | 93 |
| Ausgabe: | 6 |
| Seitenanzahl: | 6 |
| Organisationseinheiten: | Mathematisch-Naturwissenschaftliche Fakultät / Institut für Chemie |
| Peer Review: | Referiert |
