A Guide Through the Layered Perovskite Landscape—Mismatch, Inter-Layer Interaction and Perovskitoids

When and Where

Nov 30, 2022
8:00pm - 10:00pm

Hynes, Level 1, Hall A

Presenter

Mikael Kepenekian

Bruno Cucco

George Volonakis

Claudine Katan

Jacky Even

Co-Author(s)

Mikael Kepenekian^1,2,Bruno Cucco¹,George Volonakis¹,Claudine Katan^1,2,Jacky Even³

Université de Rennes 1¹,CNRS²,INSA Rennes³

Abstract

Mikael Kepenekian^1,2,Bruno Cucco¹,George Volonakis¹,Claudine Katan^1,2,Jacky Even³

Université de Rennes 1¹,CNRS²,INSA Rennes³

If 3-dimensional (3D) halide perovskites have shown spectacular results in optoelectronic devices, they offer limited choice of metals and organic cations. This is not the case of layered (2D) halide perovskites A2MX4 (A: organic cation, M: metal ion, X: halide) that impose far less constraints over the chemical design of the organic spacer [2,3]. The number of suitable candidates for A then becomes so large that guidelines would be desirable for the design of future devices. Here, based on computational investigations conducted on experimental and model systems, we propose to contribute to the writing of those rules. We start by exploring the concept of lattice mismatch [4] that offers a direct insight in the structural stability and optical properties of multi-layered perovskites by considering them as heterostructures formed by single-layer and 3D perovskites [5]. Then, we inspect the interaction between layers that has been shown to have great influence over the optoelectronic properties of the materials [6-8]. We establish the structural parameters governing the amplitude of the interaction as well as its limits. Finally, we present new directions to explore for the design of low-dimensional materials with the recently proposed perovskitoid materials based on a mixing of corner- and edge-sharing octahedra [9]. [1] B. Saparov, D. B. Mitzi, Chem. Rev. 2016, 116, 4558. [2] L. Pedesseau, M.K. et al., ACS Nano 2016, 10, 9776. [3] C. Katan, N. Mercier, J. Even, Chem. Rev. 2019, 119, 3140. [4] M. Kepenekian et al., Nano Lett. 2018, 18, 5603. [5] E. S. Vasileiadou, M.K. et al., Chem. Mater. 2021, 33, 5085. [6] W. Li et al., Nat. Nanotechnol. 2022, 17, 45. [7] L. Mao, M.K. et al., J. Am. Chem. Soc. 2020, 142, 8342. [8] E. S. Vasileiadou, M.K. et al., J. Am. Chem. Soc. 2022, 144, 6390. [9] X. Li, M.K. et al., J. Am. Chem. Soc. 2022, 144, 3902.