READ ME File For 'Dataset for: Solvothermal Synthesis of Sn3N4 as a High Capacity Sodium-Ion Anode:  Theoretical and Experimental Study of its Storage Mechanism'

Dataset DOI: 10.5258/SOTON/D1482

ReadMe Author: Andrew Hector, University of Southampton ORCID ID 0000-0002-9964-2163

This dataset supports the publication:
AUTHORS: Fitch, S, Cibin, G, Hepplestone, S, Garcia-Araez, N & Hector, AL  
TITLE: 'Solvothermal Synthesis of Sn3N4 as a High Capacity Sodium-Ion Anode: Theoretical and Experimental Study of its Storage Mechanism'
JOURNAL: Journal of Materials Chemistry A.
PAPER DOI: https://doi.org/10.1039/D0TA04034G

The figures are as follows:

Figure 1: Powder XRD patterns for the products of solvothermal synthesis at various temperatures. 

Figure 2a: Magnitude and real part of the Fourier transforms of K3-weighted Sn K-edge EXAFS and TEM images of microcrystalline tin nitride

Figure 2b: Magnitude and real part of the Fourier transforms of K3-weighted Sn K-edge EXAFS and TEM images of nanocrystalline tin nitride

Figure 3a: Galvanostatic cycling of microcrystalline tin nitride in a Na half-cell at 200 mA g-1

Figure 3b: Specific capacity vs. cycle number of microcrystalline tin nitride in a Na half-cell at 200 mA g-1

Figure 3c:  Galvanostatic cycling of microcrystalline tin nitride in a Na half-cell at 50 mA g-1						

Figure 3d: Specific capacity vs. cycle number of microcrystalline tin nitride in a Na half-cell at 50 mA g-1

Figure 4a: Galvanostatic cycling of nanocrystalline tin nitride in a Na half-cell at 200 mA g-1

Figure 4b: Specific capacity vs. cycle number of nanocrystalline tin nitride in a Na half-cell at 200 mA g-1

Figure 4c:  Galvanostatic cycling of nanocrystalline tin nitride in a Na half-cell at 50 mA g-1						

Figure 4d: Specific capacity vs. cycle number of nanocrystallibe tin nitride in a Na half-cell at 50 mA g-1

Figure 7: Initial galvanostatic cycle of microcrystalline tin nitride depicting where samples were taken for the ex situ XRD, XANES and EXAFS studies

Figure 8a:Sn K-edge XANES spectra during  first reduction as a function of cell potential

Figure 8b:Sn K-edge XANES spectra during  first oxidation as a function of cell potential

Figure 8a:Sn K-edge XANES spectra during  first reduction as a function of cell potential

Figure 9a:Magnitude of the Fourier transforms of K3-weighted Sn K-edge EXAFS during initial reduction and oxidation of microcrystalline tin nitride

Figure 9b: ex situ XRD patterns  during initial reduction and oxidation of microcrystalline tin nitride

Figure S1: Ex situ diffraction patterns of microcrystalline Sn3N4 electrodes during the initial sodiation reaction in Na half cells. The electrodes have been prepared without homogenising the ink. 

Figure S2: Raw data for GSAS refinement patterns

Figure S4: Derivative capacity plot computed from the initial galvanostatic cycle of microcrystalline and nanocrystalline Sn3N4 at a specific current of 50 mA g-1.  

Figure S5a: Sn-K edge XANES of known Sn standards and pristine microcrystalline Sn3N4 electrode

Figure S5b: Calibration of Sn-K edge energies vs. oxidation state

Figure S6: Comparison of the XRD of the pristine microcrystalline Sn3N4 electrode and the ICSD database pattern of CrO2 and NiO  

Figure S7: Comparison of the XRD of the microcrystalline Sn3N4 electrode cycled to various potentials and the ICSD database pattern of Sn3N4,  Sn and SnO2. 

Date of data collection: 2015-2019

Licence: Creative Commons: Attribution (CC BY) http://creativecommons.org/licenses/by/4.0/

Related projects:
The authors thank EPSRC for funding an early career fellowship to NGA (EP/N024303/1) and the Smartlab diffractometer (EP/K00509X/1 and EP/K009877/1). Thanks also to Diamond for beam time at B18 under the Energy Materials block allocation grant administered by Prof. Alan Chadwick (SP14239), and to Prof. Andrea Russell for access to the Raman spectrometer. We acknowledge the use of the EPSRC-funded National Chemical Database service hosted by the Royal Society of Chemistry


Date that the file was created: July, 2020