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Published June 8, 2016 | public
Journal Article

Modeling and Simulation of the Spatial and Light-Intensity Dependence of Product Distributions in an Integrated Photoelectrochemical CO_2 Reduction System

Abstract

A multiphysics model that accounts for the performance of electrocatalysts and triple-junction light absorbers, as well as for the transport properties of the electrolyte and dissolved CO_2, was used to evaluate the spatial and light-intensity dependence of product distributions in an integrated photoelectrochemical CO2 reduction (CO_2R) cell. Different sets of band gap combinations of triple-junction light absorbers were required to accommodate the optimal total operating current density relative to the optimal partial current density for CO_2R. The simulated product distribution was highly nonuniform along the width of the electrode and depended on the electrode dimensions as well as the illumination intensity. To achieve the same product selectivity as in a potentiostatic, "half-cell" configuration, the electrocatalyst must retain its selectivity over a range of cathode potentials, and this range is dependent on the transport losses and current–voltage relationship of the light absorbers, the geometric parameters of the cell, and the illumination intensity.

Additional Information

© 2016 American Chemical Society. Received: May 10, 2016 Accepted: June 8, 2016. This material is based upon work performed by the Joint Center for Artificial Photosynthesis, a DOE Energy Innovation Hub, supported through the Office of Science of the U.S. Department of Energy under Award Number DE-SC0004993.

Additional details

Created:
September 15, 2023
Modified:
October 23, 2023