Solar Fuels Modeling Website

Version 1.1, Please cite (A Flexible Web-Based Approach to Modeling Tandem Photocatalytic Devices, Seger, B., Hansen, O., Vesborg, P.C.K., Solar RRL, DOI:10.1002/solr.201600013) when using this mode. The program was optimized for Firefox, but should work on all major browsers. Brian Seger was the sole programmer of this model, thus pleas contact him for any questions or issues relating to the model here . Read more about the web-based model here.
General Conditions (Always uses an AM1.5 spectrum)
Reactor temperature : K
Water depth (?): cm
How much water the light needs to penetrate through before it reaches the photoabsorber(s):
(For tandem devices: Only bottom cell is affected by water absorption (?): )
Only click this for tandem devices where the irradiation side of the top cell photoabsorber never sees electrolyte. If this option is used it will assume the electrolyte will be between the top cell photoabsorber and bottom cell photoabsorbers. This approach is not common. If this option is used for single photoabsorbers, it will equivalent to setting the water depth = 0 cm.
Concentrator cell (?):
This is the light concentraion of the AM1.5 spectra.
For light concentrations above 1.00, AM1.5 (Direct + Circumsolar) is used since this spectrum is meant for concentrator cells.
For no light concentration (i.e. Concentration = 1) AM1.5 Global is used.
For light concentration between 0 and 1, the program uses a given fraction of the AM1.5 Global spectra.
The precision to which the program calculates current is automatically adjusted to account for concentration. One can readjust this if desired by clicking on the 'Precision and Ploting' option.

Optimize by allowing for additional bias to be used (?):
This adds additional bias to the device which helps the photovoltage overcome the thermodynamics and losses of the system.
This additional energy used in creating the bias is subtracted off when the efficiency is calculated.
Please realize bias here relates to a 2-electrode device, and should not be confused with bias from a 3-electrode device.
Ohmic resistance (?): Ohm x cm2
This will normally be zero unless you have a wired device or have unconductive protection layers

Photoabsorber Options

Click to modify light absorption parameters
The file should contain only 2 columns with no headers.
Column 1 should be the wavelength (nm) and column 2 should be the Absorbance. (Absorbance is a unitless value. Even though Wikipedia says that Absorbance can in the units of 'A.U' for absorbance units, this is just garbage. 'Absorbance units' was just a cover for people who errently thought Absorbance was just an arbitray number. Rant over.)
Scan rate does not matter.
'incoming' is defined as only the photons that have already made it past any water layer that may be present.
If photon matching is used the absorption percentage may decrease if the large band gap needs to be thinned down to allow more light penetration to the small band gap material.
This is only relevant for tandem devices or situations in which the user uploads a large band gap photoabsober.
'incoming' is defined as only the photons that have already made it past any water layer that may be present and past the photoabsorber #1 .
If photon matching is used this value corresponds to an absolute absorption percentage of incident above band gap photons rather than a pro-rated absorption percentage.

Faradaic efficiency = %
Calculate production rates (mol/m2/hr) instead of efficiency
The reaction product is a electron redox process.
Reduction Overpotential

Oxidation Overpotential

Ionic Losses

Precision and Plotting Options:

Panel 1:
This allows for you to add an extra trace to the graph (x-y plot) or subtract from a previous graph (for contour plots)
This either adds or subtracts data to the previous data set irrespective of whether it is on Panel 1 or Panel 2
It is however possible to create new data on one panel and subtract this new data from the previous data on the other panel.

Area for Graph #1

Panel 2:

Recent Publications Using This Program

  1. Photon-Driven Nitrogen Fixation: Current Progress, Thermodynamic Considerations, and Future Outlook Medford A.J. ; Hatzell M.C. ACS Catalysis 2017 7 (4), 2624–2643 doi: 10.1021/acscatal.7b00439
  2. A Flexible Web-Based Approach to Modeling Tandem Photocatalytic Devices. Seger B.; Hansen, O.; Vesborg  P.C.K. Solar RRL 2017 1, 1600013. doi: 10.1002/solr.201600013
  3. Vesborg  P.C.K.; Seger B. Performance Limits of Photoelectrochemical CO2 Reduction Basedon Known Electrocatalysts and the Case for Two-Electron Reduction Products  Chemistry of Materials 2016, 28, 8844−8850. doi:10.1021/acs.chemmater.6b03927
  4. Mei  B.; Mul G.: Seger B. Beyond Water Splitting: Efficiencies of Photo-Electrochemical Devices Producing Hydrogen and Valuable Oxidation Products  Advanced Sustainable Systems 2017 1, 1600035. doi:10.1002/adsu.201600035