Title: Calculation of the energy band diagram of a photoelectrochemical water splitting cell
Authors : Cendula, Peter
Tilley, S. David
Gimenez, Sixto
Bisquert, Juan
Schmid, Matthias
Grätzel, Michael
Schumacher, Jürgen
Published in : The Journal of Physical Chemistry C
Volume(Issue) : 118
Issue : 51
Pages : 29599
Pages to: 29607
Publisher / Ed. Institution : American Chemical Society
Issue Date: 16-Nov-2014
License (according to publishing contract) : Licence according to publishing contract
Type of review: Peer review (publication)
Language : English
Subjects : Water splitting; Hydrogen; Numerical
Subject (DDC) : 530: Physics
Abstract: A physical model is presented for the semiconductor electrode of a photoelectrochemical (PEC) cell, accounting for the potential drop in the Helmholtz layer. Hence, both band edge pinning and unpinning are naturally included in our description. The model is based on the continuity equations for charge carriers and direct charge transfer from the energy bands to the electrolyte. A quantitative calculation of the position of the energy bands and the variation of the quasi-Fermi levels in the semiconductor with respect to the water reduction and oxidation potentials are presented. Calculated photocurrent-voltage curves are compared with established analytical models and measurement data. Our model calculations are suitable to enhance understanding and improve the properties of semiconductors for photoelectrochemical water splitting.
Departement: School of Engineering
Organisational Unit: Institute of Computational Physics (ICP)
Publication type: Article in scientific journal
DOI : 10.1021/jp509719d
ISSN: 1932-7447
URI: https://digitalcollection.zhaw.ch/handle/11475/11571
Appears in Collections:Publikationen School of Engineering

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