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Ruddlesden-Popper phases of methylammonium-based two-dimensional perovskites with 5-Ammonium Valeric Acid AVA2MAn-1PbnI3 n+1 with n = 1, 2, and 3
, Article Journal of Physical Chemistry Letters ; Volume 10, Issue 13 , 2019 , Pages 3543-3549 ; 19487185 (ISSN) ; Jahanbakhshi, F ; Mladenović, M ; Alanazi, A. Q. M ; Ahmadabadi, I ; Ejtehadi, M. R ; Dar, M. I ; Grätzel, M ; Rothlisberger, U ; Sharif University of Technology
American Chemical Society
2019
Abstract
5-Ammonium valeric acid (AVA) is a frequently used additive in the preparation of lead halide perovskites. However, its microscopic role as passivating, cross-linking, or templating agent is far from clear. In this work, we provide density functional theory-based structural models for the Ruddlesden-Popper (RP) phases of AVA2(CH3NH3)n-1PbnI3n+1 for n = 1, 2, and 3 and validate with experimental data on polycrystalline samples for n = 1. The structural and electronic properties of the AVA-based RP phases are compared to the ones of other linker families. In contrast to aromatic and aliphatic spacers without additional functional groups, the RP phases of AVA are characterized by the formation...