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SOLEY

SOLEY

Solar cell simulation using extended detailed balance and Transfer Matrix Method optical calculations.

Overview

SOLEY is a simulation platform for researchers and engineers working on photovoltaic device optimisation. Unlike traditional drift-diffusion simulators, SOLEY implements an extended detailed balance framework combined with rigorous Transfer Matrix Method (TMM) optical calculations, offering a complementary approach to existing tools like SCAPS-1D or PC1D.

Why SOLEY?

Thermodynamically Consistent

Built on detailed balance principles ensuring physical accuracy

Multi-Junction Support

Native support for tandem and multi-terminal configurations

Bulk and Interface Defects

Customisable recombination pathways

Fast & Parallel

TMM calculations with generation profile export

Luminescence Spectroscopy

Integrated PL/EL for material characterization

Advanced Diode Analysis

Ideality factor and differential resistance vs voltage

Light Trapping & Scattering

Advanced optical modeling for enhanced absorption

Design Exploration

Quick parameter screening and optimization

Key Features

Optical Simulation Capabilities

Transfer Matrix Method (TMM) Engine
  • Coherent & partial coherence calculations
  • Direct and diffuse illumination (Lambertian integration)
  • Angle (0-89°) and polarization (TE/TM/unpolarized) control
  • Generation profiles with spectral integration
Light Scattering & Trapping Models
  • Debye-Waller factors (roughness ~ wavelength)
  • Geometric trapping (roughness >> wavelength, e.g. pyramids)
  • Hybrid absorber/non-absorber interface treatment
  • Infinite bounce path enhancement
  • Metallic vs dielectric Fresnel handling
Material Handling
  • Bruggeman EMA for composite layers
  • Complex refractive index (n + ik)
  • Custom spectral input (AM1.5G, indoor, etc.)
  • Dynamic injection control (0.001–46,300 suns)

Device Physics & Electrical Modelling

Extended Detailed Balance
  • Shockley-Queisser limit calculations
  • Radiative recombination (Van Roosbroeck-Shockley)
  • SRH with bulk and interface recombination
  • Auger recombination with T and Eg dependence
  • TMM-integrated absorption spectra
Multi-Junction Support
  • 2-terminal tandem calculations
  • Current-matching analysis
  • 4-terminal efficiency summation
  • Support for 3–6 junction devices
  • Automatic limiting-subcell ID
Defect Modelling
  • Microscopic parameter input (Nt, σn, σp)
  • Automatic J₀ calculation
  • Activation energy (Ea) specification
  • Per-absorber storage

Analysis & Characterization Tools

J-V Characteristics
  • Dark and illuminated curves
  • Custom voltage sweep range
  • Multi-absorber overlay
  • CSV export
Luminescence (PL/EL)
  • Van Roosbroeck-Shockley emission
  • Variable excitation wavelength/power
  • Applied voltage control
  • TMM-based absorptivity
  • Quasi-Fermi splitting calculations
SQ Limit Calculator
  • Theoretical efficiency limits
  • Auger recombination inclusion
  • Resistance effects
  • Temperature-dependent
  • Concentration effects
Generation Function Export
  • TMM-calculated Generation
  • SCAPS-compatible
  • Parallel computing for faster export
Voltage Dependent Collection
  • Hecht equation implementation
  • Mobility-lifetime product (μτ) based
  • Drift length and field collapse modeling
Advanced Diode Analysis
  • Local ideality factor n_id(V)
  • Differential resistance R_diff(V)
  • Shunt/recombination/series regime separation
Light Scattering/Trapping
  • Debye-Waller (roughness ~ wavelength)
  • Geometric trapping (roughness >> wavelength)
  • Hybrid absorber/non-absorber treatment
  • Infinite bounce path enhancement
Integrated Theoretical Hints
  • Scientific explanations in GUI
  • Contextual theoretical information
  • Understand the physics behind each feature

Application Screenshots

See SOLEY in action with these interface examples:

💡 Tip: Start with the example files included in the download to familiarize yourself with the workflow before building your own device structures.

Download SOLEY v1.7

Choose your platform below. SOLEY now requires installation. Example files are located in the installation directory (Program Files/SOLEY/ for Windows).

🪟
Windows

~100 MB

Download for Windows

Windows 10/11 (64-bit)

🍎
macOS

~60 MB

Download for macOS

macOS 10.15+ (Intel/Apple Silicon)

🐧
Linux

~100 MB

Download for Linux

Ubuntu 20.04+ / Debian-based

📦 What's included:
  • SOLEY installer with full application
  • Example device structures (Windows: Program Files/SOLEY/)
  • Sample optical constants database
  • Configuration files with method details (optics.txt, global_parameters.txt, outputs.txt)
  • User manual (PDF) should be downloaded separately on Zenodo

System Requirements

  • OS: Windows 10/11, macOS 10.15+, or Ubuntu 20.04+
  • RAM: 4 GB minimum (8 GB recommended)
  • Disk Space: 500 MB free space
  • Display: 1280×720 minimum resolution

Previous Versions

All releases are archived on Zenodo with DOI versioning.

Quick Start Guide

Installation

  1. Download the appropriate installer for your operating system
  2. Run the installer and follow the installation wizard
  3. Launch SOLEY from your applications menu or desktop shortcut
  4. For Windows: Example files are located in Program Files/SOLEY/
⚠️ macOS Users: You may need to right-click the application and select "Open" the first time due to Gatekeeper security. Go to System Preferences → Security & Privacy if blocked.

First Simulation in 5 Steps

1. Load Example Structure

File → Open → Select "perovskite_silicon_tandem.soley"

2. Run Optical Calculation

Click "Calculate TMM" to compute absorption profiles

3. Set Device Parameters

Navigate to "Device Physics" tab and review recombination settings

4. Generate J-V Curve

Tools → J-V Characteristics → Select illumination conditions

5. Export Results

File → Export → Choose CSV or PNG format

Essential Workflow

1. Define layer stack (materials + thicknesses)
2. Assign optical constants (n, k data)
3. Run TMM calculation
4. Set absorber parameters (Eg, defects, etc.)
5. Choose illumination (spectrum, angle, intensity)
6. Run electrical model (J-V, Generation, PL, etc.)
7. Analyze and export results

Example Files Included

  • single_junction_silicon.soley - Basic c-Si device
  • perovskite_silicon_tandem.soley - 2T tandem cell
  • CZTS.soley - Sulphur Kesterite
  • CZTSe.soley - Selenium Kesterite

Getting Help

Consult the full User Manual (PDF) for detailed tutorials and parameter explanations.

Technical Approach

Optical Model: Transfer Matrix Method

SOLEY implements the Fresnel-based TMM for stratified media:

  • Exact solution of Maxwell's equations in planar geometry
  • Coherent interference effects in thin films
  • Partial coherence modeling (convolution & sampling methods)
  • Direct and diffuse illumination with angular integration
  • Three light scattering models: Debye-Waller, geometric trapping, and hybrid treatment

Reference: Jimenez et al., Sol. Mat. 251, 112109 (2023), DOI: 10.1016/j.solmat.2022.112109

Electrical Model: Extended Detailed Balance

The device physics engine solves:

J(V) = Jph - J0_rad·[exp(qV/kT) - 1] 
       - J0_SRH·[exp(qV/nkT) - 1]
       - JAuger(V)
       - V/Rsh 
       - J·Rs

Key advantages:

  • No need to solve Poisson-drift-diffusion system
  • Faster iteration for design screening
  • Thermodynamic consistency checks
  • Direct link between optical and electrical models

Reference: Jehl Li-Kao, Solar RRL (2025), DOI: 10.1002/solr.202500345

Defect Modelling: Bulk and Interface Recombination

SOLEY translates microscopic trap parameters into macroscopic J₀ using the formulation from Scaffidi et al.:

Bulk recombination:
J₀₀_bulk = π·kB·T·√(ε·Nc·Nv/(2·q·Vbi·Ndop))·vth·σn·Nt

Interface recombination:
J₀₀_interface = q·Sp·Ndop·[(Nc_adj·Nv)/(Ndop_adj·Ndop)]^(1-θ)

Final J₀_SRH:
J₀_SRH = (J₀₀_bulk + J₀₀_interface)·exp(-Ea/(n·kB·T))

Reference: Scaffidi, R. et al. Newton 1(8), 100198 (2025). DOI: 10.1016/j.newton.2025.100198

Development Roadmap

Planned Features

Enhanced EQE

Thermodynamic equations with improved collection probabilities

IBSC Physics

Intermediate band solar cells modelling

Hot Carrier Devices

Non-thermal carrier distributions

Known Limitations

  • Bruggeman mixing can cause layer indexing issues (use with caution)
  • Parallel processing overhead sometimes slower than serial for small datasets
  • macOS GUI scaling untested on all hardware variants
  • Limited built-in database of optical constants (users must provide n, k files)

Patch Notes

Version history and changelog for SOLEY releases.

Version 1.7 (Current)

Release Date: December 10th, 2025

Major Updates:

  • Light Scattering/Trapping Logic: Three comprehensive models - Debye-Waller factors for smooth interfaces, geometric light trapping for textured surfaces with infinite bounce path enhancement, and hybrid absorber/non-absorber interface treatment
  • Voltage Dependent Collection: Integrated Hecht equation for modeling collection efficiency as a function of applied voltage based on mobility-lifetime product (μτ) and drift length
  • Advanced Diode Analysis: Added local ideality factor n_id(V) and differential resistance R_diff(V) diagnostic tools to separate shunt, recombination, and series resistance regimes
  • Integrated Theoretical Hints: GUI now includes contextual scientific explanations for each functionality, helping users understand the physics behind SOLEY's features
  • Installation Changes: SOLEY now uses an installer instead of portable executables
  • Example Files: Example files now included in installation directory (Program Files/SOLEY/ for Windows)
Version 1.5

Release Date: October 30th, 2025

Key Features:

  • Luminescence Logic: Implemented photoluminescence (PL) and electroluminescence (EL) spectroscopy capabilities
  • Bug Fixes: Corrected bug in Auger recombination calculations
Version 1.3

Release Date: September 15th, 2025

Key Features:

  • Modern GUI: Interface redesign with improved user experience
  • Batch Logic Fixes: Resolved bugs affecting batch calculation workflows
📋 Version Archive: All previous versions are archived on Zenodo with permanent DOI versioning for reproducibility.

Citation

If you use SOLEY in your research, please cite:

Jehl Li-Kao, Z. "SOLEY: a package for optical and extended detailed balance model for photovoltaic device simulation." Solar RRL (2025). DOI: 10.1002/solr.202500345

BibTeX

@article{jehl2025soley,
  author  = {Zacharie Jehl Li-Kao},
  title   = {SOLEY: a package for optical and extended 
             detailed balance model for photovoltaic 
             device simulation},
  journal = {Solar RRL},
  year    = {2025},
  doi     = {10.1002/solr.202500345}
}

License

SOLEY is distributed for academic use only. Commercial use requires explicit written permission from the author.

By downloading and using SOLEY, you agree to:

  • Use the software strictly for non-commercial research and educational purposes
  • Cite the software in any publications or presentations
  • Not redistribute modified versions without permission

Contact

Get in touch for questions, bug reports, feature requests, or collaboration opportunities.

📧 Email

zacharie.jehl@upc.edu

Use subject prefixes:
[SOLEY Bug] - Bug reports
[SOLEY Feature] - Feature requests
[SOLEY Collaboration] - Research collaboration

💼 LinkedIn

Connect on LinkedIn

Professional networking and updates

🐛 GitHub Issues

Report on GitHub

For bug tracking and feature discussions

Developer

Zacharie Jehl Li-Kao
Universitat Politècnica de Catalunya (UPC)
Barcelona, Spain