Publications

We’ll add papers that use easyunfold to this list as they come out!

• S. M. Liga & S. R. Kavanagh, A. Walsh, D. O. Scanlon and G. Konstantatos. Mixed-Cation Vacancy-Ordered Perovskites (Cs\(_2\)Ti\(_{1–x}\)Sn\(_x\)X\(_6\); X = I or Br): Low-Temperature Miscibility, Additivity, and Tunable Stability. J. Phys. Chem. C 2023. https://doi.org/10.1021/acs.jpcc.3c05204

• Nicolson, A.; Breternitz, J.; Kavanagh, S. R.; Tomm, Y.; Morita, K.; Squires, A. G.; Tovar, M.; Walsh, A.; Schorr, S.; Scanlon, D. O. Interplay of Static and Dynamic Disorder in the Mixed-Metal Chalcohalide Sn\(_2\)SbS\(_2\)I\(_3\). J. Am. Chem. Soc. 2023. https://doi.org/10.1021/jacs.2c13336.

• Huang, Y.-T.; Kavanagh, S. R.; Righetto, M.; Rusu, M.; Levine, I.; Unold, T.; Zelewski, S. J.; Sneyd, A. J.; Zhang, K.; Dai, L.; Britton, A. J.; Ye, J.; Julin, J.; Napari, M.; Zhang, Z.; Xiao, J.; Laitinen, M.; Torrente-Murciano, L.; Stranks, S. D.; Rao, A.; Herz, L. M.; Scanlon, D. O.; Walsh, A.; Hoye, R. L. Z. Strong Absorption and Ultrafast Localisation in NaBiS\(_2\) Nanocrystals with Slow Charge-Carrier Recombination. Nat Commun 2022. https://doi.org/10.1038/s41467-022-32669-3.

• Wang, Y.; Kavanagh, S. R.; Burgués-Ceballos, I.; Walsh, A.; Scanlon, D. O.; Konstantatos, G. Cation Disorder Engineering Yields AgBiS\(_2\) Nanocrystals with Enhanced Optical Absorption for Efficient Ultrathin Solar Cells. Nat. Photon. 2022. https://doi.org/10.1038/s41566-021-00950-4.

easyunfold Citation

If you use easyunfold in your work, please cite:

• B. Zhu, S. R. Kavanagh & D. O. Scanlon, (2024). easyunfold: A Python package for unfolding electronic band structures. Journal of Open Source Software, 9(93), 5974, https://doi.org/10.21105/joss.05974