Modeling an integrated photoelectrolysis system sustained by water vapor

Two designs for an integrated photoelectrolysis system sustained by water vapor have been investigated using a multi-physics numerical model that accounts for charge and species conservation, electron and ion transport, and electrochemical processes. Both designs leverage the use of a proton-exchange membrane that provides conductive pathways for reactant/product transport and prevents product crossover. The resistive losses, product gas transport, and gas crossovers as a function of the geometric parameters of the two designs have been evaluated systematically. In these designs, minimization of pathways in the membrane that can support the diffusive transport of product gases from the catalyst to the gas-collecting chamber was required to prevent supersaturation of hydrogen or oxygen gases at the Nafion/catalyst interface. Due to the small, thin membrane layer that was required, a small electrode width (<300 μm) was also required to produce low resistive losses in the system. Alternatively, incorporation of a structured membrane that balances the gas transport and ionic transport allows the maximum electrode width to be increased to dimensions as large as a few millimeters. Diffusive gas transport between the cathode and anode was the dominant source for crossover of the product gases under such circumstances. The critical dimension of the electrode required to produce acceptably low rates of product crossover was also investigated through the numerical modeling and device simulations.

[1]  D. Nocera,et al.  Wireless Solar Water Splitting Using Silicon-Based Semiconductors and Earth-Abundant Catalysts , 2011, Science.

[2]  Hubert A. Gasteiger,et al.  A Perovskite Oxide Optimized for Oxygen Evolution Catalysis from Molecular Orbital Principles. , 2012 .

[3]  Allen J. Bard,et al.  Electrochemical Methods: Fundamentals and Applications , 1980 .

[4]  Charles C. L. McCrory,et al.  Benchmarking heterogeneous electrocatalysts for the oxygen evolution reaction. , 2013, Journal of the American Chemical Society.

[5]  Nathan S Lewis,et al.  Photoelectrochemical hydrogen evolution using Si microwire arrays. , 2011, Journal of the American Chemical Society.

[6]  Mandin Philippe,et al.  Modelling and calculation of the current density distribution evolution at vertical gas-evolving electrodes , 2005 .

[7]  Nathan S. Lewis,et al.  Proton exchange membrane electrolysis sustained by water vapor , 2011 .

[8]  Adam Z. Weber,et al.  Transport in Polymer-Electrolyte Membranes III. Model Validation in a Simple Fuel-Cell Model , 2004 .

[9]  S. Grigoriev,et al.  Pure hydrogen production by PEM electrolysis for hydrogen energy , 2006 .

[10]  A. Weber,et al.  Transport in Polymer-Electrolyte Membranes II. Mathematical Model , 2004 .

[11]  Nathan S. Lewis,et al.  An analysis of the optimal band gaps of light absorbers in integrated tandem photoelectrochemical water-splitting systems , 2013 .

[12]  N. Lewis Toward Cost-Effective Solar Energy Use , 2007, Science.

[13]  Zhixiang Liu,et al.  Study on a novel manufacturing process of membrane electrode assemblies for solid polymer electrolyte water electrolysis , 2007 .

[14]  H. Vogt,et al.  The bubble coverage of gas-evolving electrodes in a flowing electrolyte , 2000 .

[15]  Adam Z. Weber,et al.  Transport in Polymer-Electrolyte Membranes I. Physical Model , 2004 .

[16]  mV open-circuit voltages from Cu 2 O / CH 3 CN junctions † , 2010 .

[17]  Turner,et al.  A monolithic photovoltaic-photoelectrochemical device for hydrogen production via water splitting , 1998, Science.

[18]  N. Lewis,et al.  820 mV open-circuit voltages from Cu2O/CH3CN junctions , 2011 .

[19]  Nathan S. Lewis,et al.  Modeling, simulation, and design criteria for photoelectrochemical water-splitting systems , 2012 .

[20]  A. Bryson,et al.  A population balance approach to the study of bubble behaviour at gas-evolving electrodes , 1989 .

[21]  L. Janssen,et al.  Bubble behaviour on and mass transfer to an oxygen-evolving transparent nickel electrode in alkaline solution , 1981 .

[22]  J. Goodenough,et al.  A Perovskite Oxide Optimized for Oxygen Evolution Catalysis from Molecular Orbital Principles , 2011, Science.

[23]  N. Lewis,et al.  Powering the planet: Chemical challenges in solar energy utilization , 2006, Proceedings of the National Academy of Sciences.

[24]  Tetsuo Soga,et al.  Efficient Solar Water Splitting, Exemplified by RuO2-Catalyzed AlGaAs/Si Photoelectrolysis. , 2001 .

[25]  N. Lewis,et al.  Evaluation and optimization of mass transport of redox species in silicon microwire-array photoelectrodes , 2012, Proceedings of the National Academy of Sciences of the United States of America.

[26]  Nathan S. Lewis,et al.  Simulations of the irradiation and temperature dependence of the efficiency of tandem photoelectrochemical water-splitting systems† , 2013 .

[27]  James R. McKone,et al.  Solar water splitting cells. , 2010, Chemical reviews.

[28]  M. D. Rooij,et al.  Electrochemical Methods: Fundamentals and Applications , 2003 .