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Tuning the Structural Rigidity of Two-Dimensional Ruddlesden–Popper Perovskites through the Organic Cation
[Image: see text] Two-dimensional (2D) hybrid organic–inorganic perovskites are an interesting class of semi-conducting materials. One of their main advantages is the large freedom in the nature of the organic spacer molecules that separates the individual inorganic layers. The nature of the organic...
Autores principales: | , , , |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
American Chemical
Society
2020
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Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC7771047/ https://www.ncbi.nlm.nih.gov/pubmed/33391582 http://dx.doi.org/10.1021/acs.jpcc.0c08893 |
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author | Fridriksson, Magnus B. van der Meer, Nadia de Haas, Jiska Grozema, Ferdinand C. |
author_facet | Fridriksson, Magnus B. van der Meer, Nadia de Haas, Jiska Grozema, Ferdinand C. |
author_sort | Fridriksson, Magnus B. |
collection | PubMed |
description | [Image: see text] Two-dimensional (2D) hybrid organic–inorganic perovskites are an interesting class of semi-conducting materials. One of their main advantages is the large freedom in the nature of the organic spacer molecules that separates the individual inorganic layers. The nature of the organic layer can significantly affect the structure and dynamics of the 2D material; however, there is currently no clear understanding of the effect of the organic component on the structural parameters. In this work, we have used molecular dynamics simulations to investigate the structure and dynamics of a 2D Ruddlesden–Popper perovskite with a single inorganic layer (n = 1) and varying organic cations. We discuss the dynamic behavior of both the inorganic and the organic part of the materials as well as the interplay between the two and compare the different materials. We show that both aromaticity and the length of the flexible linker between the aromatic unit and the amide have a clear effect on the dynamics of both the organic and the inorganic part of the structures, highlighting the importance of the organic cation in the design of 2D perovskites. |
format | Online Article Text |
id | pubmed-7771047 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2020 |
publisher | American Chemical
Society |
record_format | MEDLINE/PubMed |
spelling | pubmed-77710472020-12-30 Tuning the Structural Rigidity of Two-Dimensional Ruddlesden–Popper Perovskites through the Organic Cation Fridriksson, Magnus B. van der Meer, Nadia de Haas, Jiska Grozema, Ferdinand C. J Phys Chem C Nanomater Interfaces [Image: see text] Two-dimensional (2D) hybrid organic–inorganic perovskites are an interesting class of semi-conducting materials. One of their main advantages is the large freedom in the nature of the organic spacer molecules that separates the individual inorganic layers. The nature of the organic layer can significantly affect the structure and dynamics of the 2D material; however, there is currently no clear understanding of the effect of the organic component on the structural parameters. In this work, we have used molecular dynamics simulations to investigate the structure and dynamics of a 2D Ruddlesden–Popper perovskite with a single inorganic layer (n = 1) and varying organic cations. We discuss the dynamic behavior of both the inorganic and the organic part of the materials as well as the interplay between the two and compare the different materials. We show that both aromaticity and the length of the flexible linker between the aromatic unit and the amide have a clear effect on the dynamics of both the organic and the inorganic part of the structures, highlighting the importance of the organic cation in the design of 2D perovskites. American Chemical Society 2020-12-14 2020-12-24 /pmc/articles/PMC7771047/ /pubmed/33391582 http://dx.doi.org/10.1021/acs.jpcc.0c08893 Text en © 2020 American Chemical Society This is an open access article published under a Creative Commons Non-Commercial No Derivative Works (CC-BY-NC-ND) Attribution License (http://pubs.acs.org/page/policy/authorchoice_ccbyncnd_termsofuse.html) , which permits copying and redistribution of the article, and creation of adaptations, all for non-commercial purposes. |
spellingShingle | Fridriksson, Magnus B. van der Meer, Nadia de Haas, Jiska Grozema, Ferdinand C. Tuning the Structural Rigidity of Two-Dimensional Ruddlesden–Popper Perovskites through the Organic Cation |
title | Tuning the Structural Rigidity of Two-Dimensional
Ruddlesden–Popper Perovskites through the Organic Cation |
title_full | Tuning the Structural Rigidity of Two-Dimensional
Ruddlesden–Popper Perovskites through the Organic Cation |
title_fullStr | Tuning the Structural Rigidity of Two-Dimensional
Ruddlesden–Popper Perovskites through the Organic Cation |
title_full_unstemmed | Tuning the Structural Rigidity of Two-Dimensional
Ruddlesden–Popper Perovskites through the Organic Cation |
title_short | Tuning the Structural Rigidity of Two-Dimensional
Ruddlesden–Popper Perovskites through the Organic Cation |
title_sort | tuning the structural rigidity of two-dimensional
ruddlesden–popper perovskites through the organic cation |
url | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC7771047/ https://www.ncbi.nlm.nih.gov/pubmed/33391582 http://dx.doi.org/10.1021/acs.jpcc.0c08893 |
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