Crystallization of FAPbI3: Polytypes and stacking faults-Reference-Cited by-同舟云学术

Crystallization of FAPbI3: Polytypes and stacking faults

Published:2023-10-17 Issue:15 Volume:159 Page:
ISSN:0021-9606
Container-title:The Journal of Chemical Physics
language:en
Short-container-title:

Author:

Ahlawat Paramvir¹^ORCID

Affiliation:

1. SNSF Post-doc Mobility Fellow, Yusuf Hamied Department of Chemistry, University of Cambridge, Cambridge CB2 1EW, United Kingdom and Institute of Chemical Sciences and Engineering, Ecole Polytechnique Federale de Lausanne (EPFL) , CH-1015 Lausanne, Switzerland

Abstract

Molecular dynamics simulations are performed to study the crystallization of formamidinium lead iodide. From all-atom simulations of the crystal growth process and the δ-α-phase transitions, we try to reveal the formation of various stack-faulted intermediate defected structures and report various polytypes of formamidinium lead iodide that are observed from simulations.

Funder

Swiss National Science Foundation

Publisher

AIP Publishing

Subject

Physical and Theoretical Chemistry,General Physics and Astronomy

Link

https://pubs.aip.org/aip/jcp/article-pdf/doi/10.1063/5.0165285/18171954/151102_1_5.0165285.pdf

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