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License: MIT made-with-python DOI

Trap-Limited Conversion Efficiency

Tools for calculating the solar energy conversion limits of inorganic crystals. The approach relies on defect-mediated non-radiative recombination values calculated from CarrierCapture.jl or similar packages such as NonRad.

Tutorials can be found on the docs site.

We acknowledge that some code related to radiative detailed balance was adapted from https://github.com/marcus-cmc/Shockley-Queisser-limit, while the AM1.5g solar spectrum ASTMG173.csv is from NREL.

Related Packages

  • Doped - pre- and post-processing of point defect calculations

  • ShakeNBreak - approach to find symmetry broken solutions

  • SC-Fermi / py-SC-Fermi - equilibrium self-consistent Fermi level in Fortran / Python

  • Wannier90 - allows calculation of optical absorption with dense k-point sampling

Used in

Development

The project is hosted on Github. Please use the issue tracker for feature requests, bug reports, and more general questions. If you would like to contribute, please do so via a pull request.