The nature of dynamic local order in CH3NH3PbI3 and CH3NH3PbBr3
Publication Date:
April 17 2023
Article Citation:
JOULE, 2023, 7, 5, 1051-1066
Article Authors
Nicholas J. Weadock, Tyler C. Sterling, Julian A. Vigil, Aryeh Gold-Parker, Ian C. Smith, Ballal Ahammed, Matthew J. Krogstad, Feng Ye, David Voneshen, Pater M. Gehring, Andrew M. Rappe, Hans-Georg Steinrück, Elif Ertekin, Hemamala I. Karunadasa, Dmitry Reznik, Michael F. Toney
Article DOI:
https://doi.org/10.1016/j.joule.2023.03.017
Research Thrusts:
RT-1
Topic Areas:
Diffuse Scattering | Local Structure | Metals | Molecular Dynamics Simulations | Perovskites

This collaborative report, that includes the Rappe and Toney Groups from IMOD, describes findings that could lead to the development of better hybrid lead halide perovskites, a class of materials that are foundational for proposed low-cost high-efficiency solar cells.

There has been a great deal of research on how these materials are made, and different applications of these materials, but this work addresses a more complex challenge, looking at why the perovskites behave the way they do – investigating the structure-function relationship. In other words, how does changing the structure of the material influence the bulk properties of the device.

The lessons gained from this work are important to include as researchers refine these hybrid materials for future generations of optoelectronic materials and their incorporation into devices.