TY  - JOUR
A1  - Wirth, Jonas
A1  - Monturet, Serge
A1  - Klamroth, Tillmann
A1  - Saalfrank, Peter
T1  - Adsorption and (photo-) electrochemical splitting of water on rutile ruthenium dioxide
T2  - epl : a letters journal exploring the frontiers of physics
N2  - 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.
Y1  - 2011
UR  - https://publishup.uni-potsdam.de/frontdoor/index/index/docId/36977
SN  - 0295-5075
VL  - 93
IS  - 6
PB  - EDP Sciences
CY  - Mulhouse
ER  -