Strong Electron Localization in Tin Halide Perovskites
Artikel i vetenskaplig tidskrift, 2021

Tin halide perovskites (THPs) have been established as a lower-toxicity alternative to lead halide perovskites. In spite of the increasing interest, the behavior of photoexcited charges has not been well understood in this class of materials. We here investigate the behavior of excess electrons in a series of tin halide perovskites by employing advanced electronic-structure calculations. We first focus on CsSnBr3 and show that electron localization is favorable in this compound and that bipolaronic states are the most stable form of self-trapped electrons. We then extend the analysis to CsSnI3, CsSnCl3, MASnBr3, FASnBr3, and DMASnBr3 and show that electron bipolarons are stable in all these compounds, thus indicating that strong electron localization is recurrent in THPs.


Hassan Ouhbi

Chalmers, Fysik, Kondenserad materie- och materialteori

Francesco Ambrosio

Consiglo Nazionale Delle Richerche

Istituto Italiano di Tecnologia

F. De Angelis

Consiglo Nazionale Delle Richerche

Universita degli Studi di Perugia

Istituto Italiano di Tecnologia

Julia Wiktor

Chalmers, Fysik, Kondenserad materie- och materialteori

Journal of Physical Chemistry Letters

1948-7185 (eISSN)

Vol. 12 22 5339-5343


Oorganisk kemi

Atom- och molekylfysik och optik

Den kondenserade materiens fysik





Mer information

Senast uppdaterat