Impact of Organic Spacers and Dimensionality on Templating of Halide Perovskites
Two-dimensional (2D) halide perovskites (HPs) are promising materials for various optoelectronic applications; yet, a comprehensive understanding of their dynamics is still elusive. Here, we offer insight into the dynamics of prototypical 2D HPs based on MAPbI3 as a function of linker molecule and t...
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Published in | ACS energy letters Vol. 9; no. 8; pp. 3947 - 3954 |
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Main Authors | , , |
Format | Journal Article |
Language | English |
Published |
American Chemical Society
09.08.2024
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Online Access | Get full text |
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Summary: | Two-dimensional (2D) halide perovskites (HPs) are promising materials for various optoelectronic applications; yet, a comprehensive understanding of their dynamics is still elusive. Here, we offer insight into the dynamics of prototypical 2D HPs based on MAPbI3 as a function of linker molecule and the number of perovskite layers using atomic-scale simulations. We show that the layers closest to the linker undergo transitions that are distinct from those of the interior layers. These transitions can take place anywhere between a few tens of Kelvin degrees below and more than 100 K above the cubic–tetragonal transition of bulk MAPbI3. In combination with the thickness of the perovskite layer, this enables one to template phase transitions and tune the dynamics over a wide temperature range. Our results thereby reveal the details of an important and generalizable design mechanism for tuning the properties of these materials. |
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ISSN: | 2380-8195 2380-8195 |
DOI: | 10.1021/acsenergylett.4c01283 |