Calculation of the energy band diagram of a photoelectrochemical water splitting cell

Cendula, Peter; Tilley, S. David; Gimenez, Sixto; Bisquert, Juan; Schmid, Matthias; Grätzel, Michael; Schumacher, Jürgen

doi:10.1021/jp509719d

Publication type:	Article in scientific journal
Type of review:	Peer review (publication)
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
DOI:	10.1021/jp509719d
Published in:	The Journal of Physical Chemistry C
Volume(Issue):	118
Issue:	51
Page(s):	29599
Pages to:	29607
Issue Date:	16-Nov-2014
Publisher / Ed. Institution:	American Chemical Society
ISSN:	1932-7447 1932-7455
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.
URI:	https://digitalcollection.zhaw.ch/handle/11475/11571
Fulltext version:	Published version
License (according to publishing contract):	Licence according to publishing contract
Departement:	School of Engineering
Organisational Unit:	Institute of Computational Physics (ICP)
Appears in collections:	Publikationen School of Engineering

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Cendula, P., Tilley, S. D., Gimenez, S., Bisquert, J., Schmid, M., Grätzel, M., & Schumacher, J. (2014). Calculation of the energy band diagram of a photoelectrochemical water splitting cell. The Journal of Physical Chemistry C, 118(51), 29599–29607. https://doi.org/10.1021/jp509719d

Cendula, P. et al. (2014) ‘Calculation of the energy band diagram of a photoelectrochemical water splitting cell’, The Journal of Physical Chemistry C, 118(51), pp. 29599–29607. Available at: https://doi.org/10.1021/jp509719d.

P. Cendula et al., “Calculation of the energy band diagram of a photoelectrochemical water splitting cell,” The Journal of Physical Chemistry C, vol. 118, no. 51, pp. 29599–29607, Nov. 2014, doi: 10.1021/jp509719d.

CENDULA, Peter, S. David TILLEY, Sixto GIMENEZ, Juan BISQUERT, Matthias SCHMID, Michael GRÄTZEL und Jürgen SCHUMACHER, 2014. Calculation of the energy band diagram of a photoelectrochemical water splitting cell. The Journal of Physical Chemistry C. 16 November 2014. Bd. 118, Nr. 51, S. 29599–29607. DOI 10.1021/jp509719d

Cendula, Peter, S. David Tilley, Sixto Gimenez, Juan Bisquert, Matthias Schmid, Michael Grätzel, and Jürgen Schumacher. 2014. “Calculation of the Energy Band Diagram of a Photoelectrochemical Water Splitting Cell.” The Journal of Physical Chemistry C 118 (51): 29599–607. https://doi.org/10.1021/jp509719d.

Cendula, Peter, et al. “Calculation of the Energy Band Diagram of a Photoelectrochemical Water Splitting Cell.” The Journal of Physical Chemistry C, vol. 118, no. 51, Nov. 2014, pp. 29599–607, https://doi.org/10.1021/jp509719d.