Research data supporting "Composition dictates octahedral tilt and photostability in halide perovskites"

Name: Research data supporting "Composition dictates octahedral tilt and photostability in halide perovskites"
Published: 2025-01-20T14:15:18Z
Keywords: electron diffraction, hybrid perovskites, solar cells

Iqbal, Affan; Orr, Kieran; Nagane, Satyawan; Ferrer Orri, Jordi; Doherty, Tiarnan; Jung, Young-Kwang; Chiang, Yu-Hsien; Selby, Thomas; Lu, Yang; Mirabelli, Alessandro; Baldwin, Alan; Ying Ooi, Zher; Gu, Qichun; Anaya, Miguel; Stranks, Samuel

doi:https://doi.org/10.17863/CAM.115110

Research data supporting "Composition dictates octahedral tilt and photostability in halide perovskites"

Repository URI

https://www.repository.cam.ac.uk/handle/1810/378858

Repository DOI

https://doi.org/10.17863/CAM.115110

Files

Composition_dictates_paper_apollo.zip (1.86 GB)

Type

Dataset

Authors

Description

Datasets accompanying "Composition Dictates Octahedral Tilt and Photostability in Halide Perovskites". Electron diffraction data was acquired at E02 (ePSIC). GIWAXS data was acquired at I07 (Diamond Light Source). Film fabrication, as well as: photoluminescence, scanning electron microscopy, UV-Vis, powder X-ray diffraction and density function theory calculations were performed at home institutions. Consult the README files for further information.

Software / Usage instructions

Vienna Ab initio Simulation Package (VASP) (journals.aps.org/prb/abstract/10.1103/PhysRevB.54.11169) TOPAS-Academic (journals.iucr.org/j/issues/2018/01/00/jo5037/jo5037.pdf) pyxem (pyxem.readthedocs.io/en/stable/index.html)