READ ME File For Dataset to support the article "Solvothermal synthesis of nanoscale BaTiO3 in benzyl alcohol-water mixtures and effects of manganese oxide coating to enhance the PTCR effect"

Dataset DOI: 

Date that the file was created: December, 2022

Authors: Min Zhang,a Thomas Caldwell,a Andrew L. Hector,a Nuria Garcia-Araez ab and Joseph Falvey a
a School of Chemistry, University of Southampton, Highfield, Southampton SO17 1BJ, UK
b The Faraday Institution, Quad One, Harwell Campus, Didcot OX11 0RA, UK

Licenses/restrictions placed on the data, or limitations of reuse:CC BY

This dataset supports the publication:
AUTHORS:Min Zhang,a Thomas Caldwell,a Andrew L. Hector,a Nuria Garcia-Araez ab and Joseph Falvey a
TITLE:Solvothermal synthesis of nanoscale BaTiO3 in benzyl alcohol-water mixtures and effects of manganese oxide coating to enhance the PTCR effect
JOURNAL:Dalton Transactions
PAPER DOI IF KNOWN: 10.1039/d2dt03307k

This dataset contains:

Original data used to produce the following figures are provided in Microsoft Excel format, with column titles explaining their content.

Fig. 1 (a) XRD patterns of BaTiO3 samples synthesised via a solvothermal method with various benzyl alcohol/water solvent mixtures; (b) crystallite/particle size and (c) tetragonality (c/a) of BaTiO3 samples plotted against benzyl alcohol percentage in solvothermal synthesis, the crystallite size and tetragonality obtained from the Rietveld fits to the XRD patterns, and the particle size determined by using the ImageJ software with a Gaussian function used to analyse SEM and TEM images (sample labels explained in Table 1).

Fig. 2 (a) Raman spectra of BaTiO3 samples synthesised via a solvothermal method with various benzyl alcohol percentages (0-90%) in benzyl alcohol/water solvent mixtures (peaks at ~307 cm-1 being marked as shaded); (b) relative integrated intensities of the Raman peak at 307 cm-1 for BaTiO3 samples plotted against benzyl alcohol percentage in solvothermal synthesis (sample labels explained in Table 1).

Fig. 3 (a-m) SEM images of BaTiO3 samples synthesised via a solvothermal method with various benzyl alcohol percentages (0-90%) in benzyl alcohol/water solvent mixtures; (n) and (o) TEM images of BaTiO3 sample synthesised using 100% benzyl alcohol (sample labels explained in Table 1); inserted patterns to show the particle sizes of the samples determined using the ImageJ software, and the size distributions analysed with a Gaussian function.

Fig. 4 (a) TGA curves and (b) mass losses plotted against particle sizes of BaTiO3 samples synthesised via a solvothermal method with various benzyl alcohol percentages (0, 20%, 40%, 60%, 80% and 90%) in benzyl alcohol/water solvent mixtures, examined by heating from 25 to 1000 °C under Ar atmosphere (sample labels explained in Table 1).

Fig. 5 (a) XRD patterns of BTO-60 and BTO-60-M samples; (b) Rietveld fit to the XRD pattern of BTO-60-M sample; (c) crystallite sizes obtained from the Rietveld fits to the XRD patterns of BTO-60 and BTO-60-M samples (sample labels explained in Table 2).

Fig. 6 (a) and (b) SEM images of BTO-60 and BTO-60-M samples; inserted patterns to show the particle sizes of the samples determined using the ImageJ software, and the size distributions analysed with a Gaussian function; (c) particle sizes of BTO-60 and BTO-60-M samples (sample labels explained in Table 2).

Fig. 7 TEM images of (a) BTO-60 and (b) BTO-60-M samples (sample labels explained in Table 2).

Fig. 8 (a) Mn 2p and (b) O 1s XPS spectra of BTO-60 and BTO-60-M samples (sample labels explained in Table 2). The data points and enveloped fitting plot are overlaid in black dots and a red line, respectively. The fitting peaks and background are shown in blue and green, respectively.

Fig. 9 Temperature dependence of resistivity (PTCR effect) for BTO-60 and BTO-60-M samples (sample labels explained in Table 2).

Fig. S1 Rietveld fits to the XRD patterns of (a) BTO-0, (b) BTO-10, (c) BTO-15, (d) BTO-20, (e) BTO-25, (f) BTO-30, (g) BTO-35, (h) BTO-40, (i) BTO-50, (j) BTO-60, (k) BTO-70, (l) BTO-80 and (m) BTO-90 samples (sample labels explained in Table 1). The data points and Rietveld fits are overlaid as black crosses and red lines, respectively. The difference plots and backgrounds are shown in blue and green, respectively. The pink tick marks represent the allowed reflection positions for the tetragonal BaTiO3 structure with space group P4mm.

Fig. S2 XPS spectra of BTO-60 and BTO-60-M samples: (a) survey spectra, (b) Ba 3d and (c) Ti 2p (sample labels explained in Table 2).