Research data supporting "Electronic Structure and Optoelectronic Properties of Bismuth Oxyiodide Robust Against Percent-Level Iodine-, Oxygen- and Bismuth-Related Surface Defects"

Huq, Tahmida 
Lee, Lana 
Li, Weiwei 

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See the README file for a detailed description of the dataset. The data has been collected using a number of techniques. Figure 1 contains data gathered using photoelectron spectroscopy and have been saved in a .vms format. The data has been analysed and processed using CasaXPS and Origin respectively. Figure 2 contains data from photoluminescence and Transient absorbance spectroscopy and have been saved as .asc and .txt files. Figure 3 contains plots that have been gathered via X-ray diffraction and Time-of-flight Secondary Ion Mass spectroscopy techniques (ToF-SIMs). The ToF-SIMs data includes the response from all the species that evolves with ion bombardment but the species of interest are I2- and O2-. Figure 4 contains all the photovoltaic performance data in .txt format which can be opened and plotted using the Matlab script provided. The photovoltaic metrics, PCE, Jsc, VOC and FF have been generated with the Matlab script which can be taken forward for the box plot plotting as shown in Figure 4. Figure 5 is a summary of the PICTs data which has been derived from the raw data in Figure S11. Please see the ReadME files for more details.

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MATLAB will be needed to run scripts that generate some of the figures. Some data files will have to be opened on CasaXPS.
defect-tolerance, photovoltaics, bismuth-based solar absorbers, perovskite inspired materials, photo-induced current transient spectroscopy
EPSRC (1647980)