First-principles calculations on a prototypical hybrid organic–inorganic perovskite reveal an unexpected role for hydrogen defects in the optoelectronic properties of this material.
References
Green, M. A., Ho-Baillie, A. & Snaith, H. J. Nat. Photon. 8, 506–514 (2014).
Stranks, S. D. & Snaith, H. J. Nat. Nanotechnol. 10, 391–402 (2015).
Sutherland, B. R. & Sargent, E. H. Nat. Photon. 10, 295–302 (2016).
Brenner, T. M., Egger, D. A., Kronik, L., Hodes, G. & Cahen, D. Nat. Rev. Mater. 1, 15007 (2016).
Egger, D. A. et al. Adv. Mater. 30, 1800691 (2018).
Zhang, X., Shen, J.-X., Turiansky, M. E. & Van de Walle, C. G. Nat. Mater. https://doi.org/10.1038/s41563-021-00986-5 (2021).
Frost, J. M. & Walsh, A. Acc. Chem. Res. 49, 528–535 (2016).
Chen, B., Rudd, P. N., Yang, S., Yuan, Y. B. & Huang, J. Chem. Soc. Rev. 48, 3842–3867 (2019).
Yang, W. S. et al. Science 356, 1376–1379 (2017).
Min, H. et al. Science 366, 749–753 (2019).
Egger, D. A., Kronik, L. & Rappe, A. M. Angew. Chem. Int. Ed. 54, 12437 (2015).
Ceratti, D. R. et al. Adv. Mater. 32, 2002467 (2020).
Sadhu, S., Buffeteau, T., Sandrez, S., Hirsch, L. & Bassani, D. M. J. Am. Chem. Soc. 142, 10431–10437 (2020).
Author information
Authors and Affiliations
Corresponding author
Ethics declarations
Competing interests
The authors declare no competing interests.
Rights and permissions
About this article
Cite this article
Kronik, L., Rappe, A.M. Hydrogen freedom linked to perovskite efficiency. Nat. Mater. 20, 914–915 (2021). https://doi.org/10.1038/s41563-021-01010-6
Published:
Issue Date:
DOI: https://doi.org/10.1038/s41563-021-01010-6
- Springer Nature Limited