Tuning the Structural Rigidity of Two-Dimensional Ruddlesden-Popper Perovskites through the Organic Cation.

ABSTRACT: 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 i

SUBMITTER: Fridriksson MB 

PROVIDER: S-EPMC7771047 | biostudies-literature | 2020 Dec

REPOSITORIES: biostudies-literature