DOI: 10.5281/zenodo.6992559
title: High-throughput synthesis and characterization of lead-free CANBIC (Cs2AgxNa1-xBiyIn1-yCl6) perovskites and their anion-exchanged derivatives

description: Measurement Data supplementing the Masterthesis "High-throughput synthesis and characterization of lead-free CANBIC (Cs2AgxNa1-xBiyIn1-yCl6) perovskites and their anion-exchanged derivatives"

 



Description of the data:


Three zip folders are included:

- first Tecan synthesis contains the data of the originally as developed synthesis routine including four 48-wellplates (original, diluted, bromide and iodide)

- HT synthesis contains the data of the optimized synthesis routine including five 48-wellplates with more detailed insight into certain ion ratios of interest

- reference measurements contains the reference measurements necessary for the data analysis


The interesting areas of the synthesis range in the HT synthesis are:

- 0-1% of Bi, 0-100% of Ag (InBi_0-1_NaAg_0-100)

- 0-10% of Bi, 0-100% of Ag (InBi_0-10_NaAg_0-100)

- 0-100% of Bi, 0-10% of Ag (InBi_0-100_NaAg_0-10)

- 0-100% of Bi, 0-100% of Ag (InBi_0-100_NaAg_0-100) --> similar to the original plate from the first synthesis

- 1-6% of Bi, 40-90% of Ag (InBi_1-6_NaAg_40-90)


The synthesis was performed by a pipetting robot on a 48-wellplate. The wells are labeled A1-F8 and so are the corresponding measurement files.

For each wellplate a separate folder containing all the measurement data as well as results from these samples is included following the structure: wellplate --> measurement type --> raw data & results subfolder.

For each wellplate PL, PLE and diffuse reflectance were measured as well as Raman for the wellplates obtained from the first Tecan synthesis. For the chloride wellplates also trPL data were obtained (bromides and iodides are not sufficiently luminescent).

For each measurement type both raw data and extracted results are present. Raw data obtained from a StellarNet spectrometer are present in a spectroscopy specific ".SSM" format


For the first Tecan synthesis the compositions can be described as follows:

- rows changing the Ag to Na content with Ag content x (A: x=0.00, B: x=0.10, C: x=0.20, D: x=0.40, E: x=0.60, F: x=1.00)

- columns changing the Bi to In content with Bi content y (for the original plate 1: y=0.00, 2: y=0.10, 3: y=0.20, 4: y=0.30, 5: y=0.50, 6: y=0.70, 7: y=0.90, 8: y=1.00 and for the diluted one 1: y=0.00, 2: y=0.01, 3: y=0.02, 4: y=0.03, 5: y=0.05, 6: y=0.07, 7: y=0.09, 8: y=0.10)

- the bromide and iodide plates originated from a "original plate" synthesis followed by an anion exchange from chloride to bromide and iodide respectively


For the HT synthesis the compositions can be described as follows:

- rows changing the Ag to Na content with Ag content x (A: x=0.00, B: x=0.10, C: x=0.30, D: x=0.50, E: x=0.80, F: x=1.00)

- columns changing the Bi to In content with Bi content y (for the original plate 1: y=0.00, 2: y=0.05, 3: y=0.10, 4: y=0.25, 5: y=0.50, 6: y=0.75, 7: y=0.90, 8: y=1.00)

- the remaining areas of the synthesis range were obtained by performing the synthesis with sufficiently diluted precursor solutions respectively


Reference measurements can be grouped in three groups:

-  Xenonlamp --> used for the background of the diffuse reflectance measurements on the StellarNet setup using a pure BaSO4 sample

- Si --> used for the evaluation of the background and excitation peak during Raman measurements coded with the date of the measurement

- diode 365nm --> excitation beam used for the generation of the PL spectra on the StellarNet setup using a pure BaSO4 sample