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Title: Numerical simulation of the long-term performance and corrosion of photoelectrochemical cells

Abstract

A computer program which simulates the long-term operation of a photoelectrochemical cell (PEC) has been devised by using the basic chemical reactions which are supposed to occur at the surface of the semiconductor electrode. The model takes into account the buildup of a top passivating layer. The rate constants for these reactions were derived implicitly by varying them until the results of the model were comparable to those obtained experimentally for the CdSe/polysulfide photoelectrochemical cell. Once these constants were found, the program was used to simulate experimental curves of efficiency as a function of the cell parameters and time. The ratio of peak photocurrent and steady-state photocurrent was evaluated as well. Effects of solution concentration, incident light intensity, and surface roughness (e.g., by photoetching) were all observed by using the model. These results are in qualitative agreement with many independent experimental observations. It is demonstrated that for a given electrode, when the rate of hole transfer into the electrolyte is increased (i.e., increased quantum yield), the rate of the electrode deactivation decreases in accordance with experimental observations. 10 figures, 1 table.

Authors:
;
Publication Date:
Research Org.:
Weizmann Inst. of Science, Rehovot, Israel
OSTI Identifier:
5779818
Resource Type:
Journal Article
Journal Name:
J. Phys. Chem.; (United States)
Additional Journal Information:
Journal Volume: 87:16
Country of Publication:
United States
Language:
English
Subject:
37 INORGANIC, ORGANIC, PHYSICAL AND ANALYTICAL CHEMISTRY; 36 MATERIALS SCIENCE; CADMIUM; ELECTROCHEMICAL CORROSION; PHOTOCHEMICAL REACTIONS; PHOTOELECTROCHEMICAL CELLS; COMPUTERIZED SIMULATION; PERFORMANCE; SELENIUM; SULFUR COMPOUNDS; ALGORITHMS; CHEMICAL REACTION KINETICS; DEACTIVATION; EFFICIENCY; ELECTROCHEMISTRY; ELECTRODES; INTERMETALLIC COMPOUNDS; OPERATION; PARAMETRIC ANALYSIS; PHOTOCHEMISTRY; ROUGHNESS; SEMICONDUCTOR MATERIALS; SULFIDES; TIME DEPENDENCE; ALLOYS; CHALCOGENIDES; CHEMICAL REACTIONS; CHEMISTRY; CORROSION; ELECTROCHEMICAL CELLS; ELEMENTS; EQUIPMENT; KINETICS; MATERIALS; MATHEMATICAL LOGIC; METALS; REACTION KINETICS; SEMIMETALS; SIMULATION; SOLAR EQUIPMENT; SURFACE PROPERTIES; 400400* - Electrochemistry; 400500 - Photochemistry; 360105 - Metals & Alloys- Corrosion & Erosion

Citation Formats

Flaisher, H, and Tenne, R. Numerical simulation of the long-term performance and corrosion of photoelectrochemical cells. United States: N. p., 1983. Web. doi:10.1021/j100239a021.
Flaisher, H, & Tenne, R. Numerical simulation of the long-term performance and corrosion of photoelectrochemical cells. United States. doi:10.1021/j100239a021.
Flaisher, H, and Tenne, R. Thu . "Numerical simulation of the long-term performance and corrosion of photoelectrochemical cells". United States. doi:10.1021/j100239a021.
@article{osti_5779818,
title = {Numerical simulation of the long-term performance and corrosion of photoelectrochemical cells},
author = {Flaisher, H and Tenne, R},
abstractNote = {A computer program which simulates the long-term operation of a photoelectrochemical cell (PEC) has been devised by using the basic chemical reactions which are supposed to occur at the surface of the semiconductor electrode. The model takes into account the buildup of a top passivating layer. The rate constants for these reactions were derived implicitly by varying them until the results of the model were comparable to those obtained experimentally for the CdSe/polysulfide photoelectrochemical cell. Once these constants were found, the program was used to simulate experimental curves of efficiency as a function of the cell parameters and time. The ratio of peak photocurrent and steady-state photocurrent was evaluated as well. Effects of solution concentration, incident light intensity, and surface roughness (e.g., by photoetching) were all observed by using the model. These results are in qualitative agreement with many independent experimental observations. It is demonstrated that for a given electrode, when the rate of hole transfer into the electrolyte is increased (i.e., increased quantum yield), the rate of the electrode deactivation decreases in accordance with experimental observations. 10 figures, 1 table.},
doi = {10.1021/j100239a021},
journal = {J. Phys. Chem.; (United States)},
number = ,
volume = 87:16,
place = {United States},
year = {1983},
month = {8}
}