READ ME File For 'Dataset Underpinning Investigating Nanoscale Catalysts from Primary Growth to Catalytic Activity' Dataset DOI: 10.5258/SOTON/D2092 ReadMe Author: GEORGE F TIERNEY, University of Southampton, 29317061 ORCID ID: 0000-0002-7409-6362 This dataset supports the thesis entitled - Investigating Nanoscale Catalysts from Primary Growth to Catalytic Activity AWARDED BY: Univeristy of Southampton DATE OF AWARD: 2021 DESCRIPTION OF THE DATA [This should include a detailed description of the data, how it was collected/created, any specialist software needed to view the data] This dataset contains: 4 subfolders labelled for each results chapter (3,4,5 and 6). Within these folders are the datasets and electron microscopy images presented in this thesis. Chapter 3 GFTierney_Ch3_FTIR.opju - This is processed infrared spectrscopy data presented in an Origin file. GFTierney_Ch3_TEM.opju - Origin project file of the prepared histograms describing the spread of nanoparticle size per sample. GFTierney_Ch3_UVVus.opju - Origin project file of the ultraviolet visible spectroscopy data collected for precursor and colloidal Pd solutions. GFTierney_Ch3_XAFS.opju - Origin file comprising X-ray Absorption Spectroscopy data acquired during various experimental beamtimes. This file comprises: X-ray Absorption Near Edge Structure (XANES) and Extended X-ray Absorption Fine Structure (EXAFS) data for all samples within the chapter. GFTierney_Ch3_XAS.prj - X-ray Absorption Spectroscopy data in processed format for all samples within this chapter. The data is accessible using the Athena software package. Subfolder 'MP-AES' - Contains files denoting the abundance of Pd in each sample within the chapter. The wavelength calibration files of the MP-AES instrument (.csv) and compiled Pd concentration data (.xslx) are given here. Subfolder 'TEM Images' - Lists further subfolders comprised of the Transmission Electron Microscopy images used to quantify average Pd nanoparticle size for samples in this chapter. All images are present as .tif files. Chapter 4 GFTierney_Ch4_FTIR.opju - This is processed infrared spectrscopy data presented in an Origin file. GFTierney_Ch4_TEM.opju - Origin project file of the prepared histograms describing the spread of nanoparticle size per sample. GFTierney_Ch4_UVVus.opju - Origin project file of the ultraviolet visible spectroscopy data collected for precursor and colloidal Pd solutions. GFTierney_Ch4_XAS_PdK.opju - Origin file comprising X-ray Absorption Spectroscopy data acquired during various experimental beamtimes. This file comprises: X-ray Absorption Near Edge Structure (XANES) and Extended X-ray Absorption Fine Structure (EXAFS) data for all samples within the chapter, acquired at the Pd K-edge energy. GFTierney_Ch4_FFhydrog_All.opju - Origin file comprising the conversion, selectivity and yield data for all catalysts tested for furfural hydrogenation in this chapter. Further to this, catalytic recycling data is also included in this .opju file. GFTierney_Ch4_S_C_KedgeXAS.opju - Origin file comprising X-ray Absorption Spectroscopy data acquired during various experimental beamtimes. This file contains XANES data acquired for the Pd catalysts in this chapter at the S and Cl K-edge energies. GFTierney_Ch4_TGA.opju - Origin file comprising the thermogravimetric analysis data for catalysts PdWPA, PdMeP and PdMe as well as TiO2 (P25) and PVA, all measured and presented in this chapter. GFTierney_Ch4_TPD_TPR.opju - Origin file containing temperature programmed desorption (TPD) and temperature programmed reduction (TPR) data acquired for a select number of catalysts presented in this chapter. GFTierney_Ch4_MPAES.xslx - Excel spreedsheet listing the Pd concentration acquired for all samples in this chapter using microwave plasma atomic emission spectroscopy. Subfolder 'HRTEM images' - Contains .tif files of high resolution TEM images acquired for samples PdWPA and PdMeP. Subfolder 'STEM Documents' - Contains seperate .docx files of Scanning TEM images acquired for samples PdWPA, PdWP, PdMeP and PdMe, as well as PdMeP and PdMe after they had been used in furfural hydrogenation. Chapter 5 GFTierney_Ch5_UVVis.opju - Origin file containing UV-Vis data for the colloidal solutions reported in this chapter. GFTierney_Ch5_ParticleSize.opju - Origin file containing histograms prepared to display the average Au nanoparticle size for the TiO2 supported catalysts in this chapter. GFTierney_Ch5_XAFS.opju - Origin file containing X-ray absorption spectroscopy data acquired during beamtime in October 2017. Data has been processed and is present in further subfolders within the origin project relating to colloidal or supported Au nanoparticles. Subfolder 'TEM' - This folder contains further subfolders listing HRTEM images of colloidal Au nanoparticles acquired at increasing metal concentration and also TEM images of Au/TiO2 catalysts (all .tif). Chapter 6 GFTiereny_Ch6_CompiledXAS.opju - Origin file containing XAS data acquired during an in situ experiment performed January/February 2020. Data within this project is presented as XANES data. GFTierney_Ch6_photonlossdata.opju - Origin file containing graphical representation of the calculated photon loss through material of increasing thickness. GFTierney_UVVis_H2evoldata.opju - Origin file containing both UV-Vis spectroscpy data for the different systems researched in this chapter, as well as graphical representation of the quantity of hydrogen evolved during various pre-beamtime testing procedures. Date of data collection: February 2017 - July 2021 Information about geographic location of data collection: Related publication: The work presented in Chapter 4 is published in ChemCatChem: 'Controlling the Production of Acid Catalyzed Products of Furfural Hydrogenation by Pd/TiO2' DOI:10.1002/cctc.202101036 The work presented in Chapter 5 is published in Nanoscale Advances 'Extracting structural information of Au colloids at ultra-dilute concentrations: identification of growth during nanoparticle immobilization' DOI: 10.1039/C9NA00159J Date that the file was created: January 2022