2014/07/22 by Peter Čendula, P. Cendula, Cendula, P. +17
Energy · Materials Science · Physics and Astronomy · #Advanced Photocatalysis Techniques #Computational Physics (physics.comp-ph) #Electronic and Structural Properties of Oxides #FOS: Physical sciences #Iron oxide chemistry and applications #Materials Science (cond-mat.mtrl-sci) #cond-mat.mtrl-sci #physics.comp-ph
paper · pdf · doi:10.48550/arxiv.1407.5774
20 pages single column, 5 figures, 2 tables, submission to ACS
arxiv created 2014/07/22 · openalex publication_date 2014/07/22 · arxiv updated 2014/07/23 · openalex created_date 2025/10/10 · openalex updated_date 2026/07/28
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 measurement. Our model calculations are suitable to enhance understanding and improve properties of semiconductors for photoelectrochemical water splitting.