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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 O (2014). Calculation of the energy band diagram of a photoelectrochemical water splitting cell. Journal of Physical Chemistry C, 118(51):29599-29607.

Abstract

A physical model is presented for the semiconductor electrode of a photoelectrochemical cell. The model accounts for the potential drop in the Helmholtz layer and thus enables description of both band edge pinning and unpinning. 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 experimental data. Our model calculations are suitable to enhance understanding and improve the properties of semiconductors for photoelectrochemical water splitting.

Abstract

A physical model is presented for the semiconductor electrode of a photoelectrochemical cell. The model accounts for the potential drop in the Helmholtz layer and thus enables description of both band edge pinning and unpinning. 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 experimental data. Our model calculations are suitable to enhance understanding and improve the properties of semiconductors for photoelectrochemical water splitting.

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13 citations in Web of Science®
15 citations in Scopus®
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Additional indexing

Item Type:Journal Article, refereed, original work
Communities & Collections:07 Faculty of Science > Department of Chemistry
Dewey Decimal Classification:540 Chemistry
Language:English
Date:2014
Deposited On:27 May 2015 15:31
Last Modified:05 Apr 2016 19:15
Publisher:American Chemical Society (ACS)
ISSN:1932-7447
Publisher DOI:https://doi.org/10.1021/jp509719d

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