READ ME FILE For ‘The electronic structure, surface properties, and in situ N2O decomposition of mechanochemically synthesised LaMnO3'
Dataset DOI: https://doi.org/10.5258/SOTON/D1342  
ReadMe Author: Peter Wells, University of Southampton
This dataset supports the publication: The electronic structure, surface properties, and in situ N2O decomposition of mechanochemically synthesised LaMnO3 in Physical Chemistry Chemical Physics Journal (PCCP)
Rachel H. Blackmore, Maria Elena Rivas, George Tierney, Khaled M. H. Mohammed, Donato Decarolis, Shusaku Hayama, Federica Venturini, Georg Held, Rosa Arrigo, Monica Amboage, Pip Hellier, Evan Lynch, Mahrez Amri, Marianna Casavola, Tugce Eralp Erden, Paul Collier and Peter P. Wells
In this work, high energy resolution fluorescence detection (HERFD), X-ray absorption near edge structure (XANES), X-ray emission, and X-ray photoelectron spectroscopy (XPS) have been used to probe the electronic structural properties of the mechanochemically prepared LaMnO3. Moreover, in situ studies using near ambient pressure (NAP)-XPS, to follow performance of milled LaMnO3 during deN2O,  and high pressure energy dispersive EXAFS studies, to mimic the preparation conditions, have also been performed.
Physical Chemistry Chemical Physics Journal (PCCP)
DOI: 10.1039/d0cp00793e

This dataset contains: Data supporting figures in the main text and ESI.
The figures are as follows:

Figure 1: (A) HERFD Mn oxide reference materials (B) HERFD-XANES and standard XANES of time-slices during the mechanochemial synthesis if LaMnO3 compared to sol-gel synthesised LaMnO3
These files are in an .opju file format to be opened in origin software. 
Figure 2, S1 and S2:(A) Mn Kß XES mainlines for Mn reference oxides and sol-gel synthesised LaMnO3 with (B) ‘time-slices’ during the mechanochemical synthesis of LaMnO3 (C) presents the Kß1,3 max as a function of oxidation state, with a line of best fit calculated from the reference materials and used to calculate the oxidation state of the ball milled materials
These files are in seperate .dat file formats
Figure 3: In situ XRD patterns during mechanochemical syntheis with a PMMA, vibrational mill set-up at time 0 and time 19 h
These files are in an .opju file format to be opened in origin software. 
Figure 4:In situ high pressure EDE to mimic the pressures occuring during ball milling at pressures 0 GPa and 20 GPa
File is in a .prj to be opened in Athena software package
Figure 5: Powder XRD patterns for LaMnO3 synthesised in argon and air by milling, compared to sol-gel synthesised perovskite
Files are in .dat format to be opened in appropriate XRD software, such as DIFFRAC.SUITE TOPAS or EVA
Figure 6, 7A-B: XAS data for air and argon milled LaMnO3 compared to the sol-gel synthesised perovskite (EXAFS and XANES)
File is in a .prj to be opened in Athena and Artemis software package
Figure 7C-D: HERFD of air and argon milled LaMnO3 compared to the sol-gel synthesised perovskite and Mn2O3 precusor oxide
File is in an .opju file format to be opened in origin software.
Figure 8 and S3: Mn Kb1,3 data for argon milled LaMnO3
These files are in seperate .dat file formats
Figure 9: XPS data for air and argon milled LaMnO3 compared to the sol-gel synthesised perovskite for O1s, Mn3s and La3d regions
These files are in an .opju file format to be opened in origin software. 
Figure 10: Catalytc performance studies of air and argon milled LaMnO3 compared to the sol-gel synthesised catalytsts during the decomposition of N2O
These files are in an .opju file format to be opened in origin software. 
Figure 11 - 13 and S6, S9, S11, S12, S15: Near ambient pressure XPS data for argon milled LaMnO3 at Mn3s, Mn2p, O1s and La3d regions
These files are in an .opju file format to be opened in origin software.

Figure S4: Repeat catalytic data for the decomposition of N2O over air and argon ball milled and sol-gel synthesised LaMnO3 with an increasing temperature
Data is in .opju file format to be opened in origin software.
Figure S5: XRD patterns of argon milled LaMnO3 before and after deN2O up to 800 °C
Data is in .opju file format to be opened in origin software.
Figure S7, S10, S13 and S16: Near ambient pressure XPS data for air milled LaMnO3 at Mn3s, Mn2p, O1s and La3d regions
These files are in an .opju file format to be opened in origin software.
Figure S8, S11, S14, S17: Near ambient pressure XPS data for argon milled LaMnO3 at Mn3s, Mn2p, O1s and La3d regions
These files are in an .opju file format to be opened in origin software.


Date of data collection: October 2016 – February 2020
Information about geographical location of data collection: University of Southampton, U.K.
Dataset available under a CC BY License
Relations to funding: EPSRC: EP/K014668/1, EP/K014706/1, EP/I019693/1, EP/K014714/1, EP/ K014854/1, EP/R011710/1
STFC: ST/R002754/1

Publisher: University of Southampton, U.K. 
Date: 20/04/2020