Combined experimental–theoretical study of the optoelectronic properties of non- stoichiometric pyrochlore bismuth titanate

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Combined experimental–theoretical study of the optoelectronic properties of non- stoichiometric pyrochlore bismuth titanate

Item Type Article

Authors Noureldine, Dalal;Lardhi, Sheikha F.;Ziani, Ahmed;Harb, Moussab;Cavallo, Luigi;Takanabe, Kazuhiro

Citation Combined experimental–theoretical study of the optoelectronic properties of non-stoichiometric pyrochlore bismuth titanate 2015, 3 (46):12032 J. Mater. Chem. C

Eprint version Publisher's Version/PDF

DOI 10.1039/C5TC03134F

Publisher Royal Society of Chemistry (RSC) Journal Journal of Materials Chemistry C

Rights Archived with thanks to J. Mater. Chem. C. This article is licensed under a Creative Commons Attribution-NonCommercial 3.0 Unported Licence. http://creativecommons.org/licenses/by- nc/3.0/

Download date 2023-12-01 07:36:37

Link to Item http://hdl.handle.net/10754/584241

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Supplementary Information

Combined Experimental-Theoretical Study of the

Optoelectronic Properties of Non-Stoichiometric Pyrochlore Bismuth Titanate

Dalal Noureldine,¹ Sheikha Lardhi,¹ Ahmed Ziani,¹ Moussab Harb,¹* Luigi Cavallo,¹ and Kazuhiro Takanabe¹*

Division of Physical Sciences and Engineering, KAUST Catalysis Center (KCC), King Abdullah University of Science and Technology (KAUST)

4700 KAUST, Thuwal, 23955-6900, Saudi Arabia

E-mail addresses: [email protected]; [email protected] Electronic Supplementary Material (ESI) for Journal of Materials Chemistry C.

This journal is © The Royal Society of Chemistry 2015

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Fig. S1. A) XRD patterns of the powder samples prepared with different Ti/Bi ratio of (a) 1, b) 1.23, c) 1.50, d) 1.75, e) 2.00. B) The magnified XRD patterns where the amorphous phases and the Bi4Ti3O12 secondary phase (asterisk) are observed.

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Fig. S2. Diffuse reflectance UV-Vis spectra of the powder sample with Ti/Bi = 1.0 containing Bi4Ti3O12 secondary phase and the sample with Ti/Bi = 1.23 (single phase).

Table S1. Rietveld atomic positions and occupancy for bismuth, titanium, and oxygen atoms in Bi1.75Ti2O6.62 sample.

atom Wyckoff

position

x y z occupancy

Bi 96 0.00000 -0.02846 0.02846 0.1463

Ti 16 0.50000 0.50000 0.50000 1

O 48 0.12500 0.12500 0.43297 1

O’ 8 0.12500 0.12500 0.12500 0.624

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Fig. S3. Refractive index components measured by spectroscopic ellipsometry for Bi1.75Ti2O6.62/Si film.

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Fig. S4. a) Cyclic voltammetry Bi1.75Ti2O6.62/FTO film measured in 0.1 M NaOH solution, pH 13, b) the XRD of the Bi1.75Ti2O6.62/FTO film used for Mott-Schottky (stars correspond to peaks of FTO substrate).