Issue 26, 2020

Hidden role of Bi incorporation in nonradiative recombination in methylammonium lead iodide

Abstract

Bismuth incorporation has been shown to significantly decrease the performance of perovskite solar cells, which has led to the common belief that BiPb is a strong nonradiative recombination center in hybrid perovskites. Using rigorous first-principles calculations, we demonstrate that BiPb is not an efficient recombination center. However, Bi acts as a donor, and pushes the Fermi level closer to the conduction band; this shift promotes the formation of iodine interstitials, which are the actual nonradiative recombination centers. These insights explain why Bi incorporation is detrimental for the photovoltaic performance. More generally, it draws attention to the detrimental role unintentionally incorporated impurities can play, not by acting as nonradiative recombination centers themselves, but by shifting the Fermi level and thereby promoting the formation of efficiency-killing defects.

Graphical abstract: Hidden role of Bi incorporation in nonradiative recombination in methylammonium lead iodide

Article information

Article type
Communication
Submitted
14 5月 2020
Accepted
20 6月 2020
First published
22 6月 2020

J. Mater. Chem. A, 2020,8, 12964-12967

Author version available

Hidden role of Bi incorporation in nonradiative recombination in methylammonium lead iodide

X. Zhang, J. Shen, M. E. Turiansky and C. G. Van de Walle, J. Mater. Chem. A, 2020, 8, 12964 DOI: 10.1039/D0TA04968A

To request permission to reproduce material from this article, please go to the Copyright Clearance Center request page.

If you are an author contributing to an RSC publication, you do not need to request permission provided correct acknowledgement is given.

If you are the author of this article, you do not need to request permission to reproduce figures and diagrams provided correct acknowledgement is given. If you want to reproduce the whole article in a third-party publication (excluding your thesis/dissertation for which permission is not required) please go to the Copyright Clearance Center request page.

Read more about how to correctly acknowledge RSC content.

Social activity

Spotlight

Advertisements