publication . Preprint . 2014

Calculation of Energy Band Diagram of a Photoelectrochemical Water Splitting Cell

Cendula, P.; Tilley, S. D.; Gimenez, S.; Schmid, M.; Bisquert, J.; Graetzel, M.; Schumacher, J. O.;
Open Access English
  • Published: 22 Jul 2014
Abstract
A physical model is presented for a 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 is presented. Calculated current-voltage curves are compared with established analytical models and mea...
Subjects
free text keywords: Physics - Computational Physics, Condensed Matter - Materials Science
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20 references, page 1 of 2

(1) Lewis, N. S.; Nocera, D. G. Proceedings of the National Academy of Sciences 2006, 103, 15729-15735.

(2) Schiermeier, Q. Nature 2013, 496, 156-158.

(3) Khaselev, O.; Turner, J. A. Science 1998, 280, 425-427.

(4) van de Krol, R.; Liang, Y. CHIMIA International Journal for Chemistry 2013, 67, 168-171.

(14) Klahr, B.; Gimenez, S.; Fabregat-Santiago, F.; Hamann, T.; Bisquert, J. J. Am. Chem. Soc. 2012, 134, 4294-4302.

(15) Bertoluzzi, L.; Bisquert, J. The Journal of Physical Chemistry Letters 2012, 2517-2522.

(16) Carver, C.; Ulissi, Z.; Ong, C.; Dennison, S.; Kelsall, G.; Hellgardt, K. International Journal of Hydrogen Energy 2012, 37, 2911-2923.

(17) Haussener, S.; Hu, S.; Xiang, C.; Weber, A. Z.; Lewis, N. Energy & Environmental Science 2013.

(18) Salvador, P. The Journal of Physical Chemistry B 2001, 105, 6128-6141.

(19) Memming, R. Semiconductor Electrochemistry; John Wiley & Sons, 2008.

(20) Peter, L. M. Journal of Solid State Electrochemistry 2013, 17, 315-326.

(22) Dotan, H.; Sivula, K.; Grätzel, M.; Rothschild, A.; Warren, S. C. Energy & Environmental Science 2011, 4, 958.

(23) Klahr, B. M.; Hamann, T. W. Applied Physics Letters 2011, 99, 063508-063508-3.

(24) Bisquert, J.; Cendula, P.; Bertoluzzi, L.; Gimenez, S. The Journal of Physical Chemistry Letters 2013, 205-207.

(25) NREL, Solar Spectral Irradiance: Air Mass 1.5, downloaded March 2012, 2012. http: //rredc.nrel.gov/solar/spectra/am1.5/.

20 references, page 1 of 2
Abstract
A physical model is presented for a 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 is presented. Calculated current-voltage curves are compared with established analytical models and mea...
Subjects
free text keywords: Physics - Computational Physics, Condensed Matter - Materials Science
Download from
20 references, page 1 of 2

(1) Lewis, N. S.; Nocera, D. G. Proceedings of the National Academy of Sciences 2006, 103, 15729-15735.

(2) Schiermeier, Q. Nature 2013, 496, 156-158.

(3) Khaselev, O.; Turner, J. A. Science 1998, 280, 425-427.

(4) van de Krol, R.; Liang, Y. CHIMIA International Journal for Chemistry 2013, 67, 168-171.

(14) Klahr, B.; Gimenez, S.; Fabregat-Santiago, F.; Hamann, T.; Bisquert, J. J. Am. Chem. Soc. 2012, 134, 4294-4302.

(15) Bertoluzzi, L.; Bisquert, J. The Journal of Physical Chemistry Letters 2012, 2517-2522.

(16) Carver, C.; Ulissi, Z.; Ong, C.; Dennison, S.; Kelsall, G.; Hellgardt, K. International Journal of Hydrogen Energy 2012, 37, 2911-2923.

(17) Haussener, S.; Hu, S.; Xiang, C.; Weber, A. Z.; Lewis, N. Energy & Environmental Science 2013.

(18) Salvador, P. The Journal of Physical Chemistry B 2001, 105, 6128-6141.

(19) Memming, R. Semiconductor Electrochemistry; John Wiley & Sons, 2008.

(20) Peter, L. M. Journal of Solid State Electrochemistry 2013, 17, 315-326.

(22) Dotan, H.; Sivula, K.; Grätzel, M.; Rothschild, A.; Warren, S. C. Energy & Environmental Science 2011, 4, 958.

(23) Klahr, B. M.; Hamann, T. W. Applied Physics Letters 2011, 99, 063508-063508-3.

(24) Bisquert, J.; Cendula, P.; Bertoluzzi, L.; Gimenez, S. The Journal of Physical Chemistry Letters 2013, 205-207.

(25) NREL, Solar Spectral Irradiance: Air Mass 1.5, downloaded March 2012, 2012. http: //rredc.nrel.gov/solar/spectra/am1.5/.

20 references, page 1 of 2
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