Qualitative and Quantitative Phase-Analysis of Undoped Titanium Dioxide and Chromium Doped Titanium Dioxide from Powder X-Ray Diffraction Data

Hari Sutrisno; Ariswan Ariswan; Dyah Purwaningsih

doi:10.22146/ijc.28892

Qualitative and Quantitative Phase-Analysis of Undoped Titanium Dioxide and Chromium Doped Titanium Dioxide from Powder X-Ray Diffraction Data

https://doi.org/10.22146/ijc.28892

Hari Sutrisno^(1*), Ariswan Ariswan⁽²⁾, Dyah Purwaningsih⁽³⁾

(1) Department of Chemistry Education, Faculty of Mathematics and Natural Sciences, Universitas Negeri Yogyakarta (UNY), Jl. Colombo No.1, Yogyakarta 55281, Indonesia
(2) Department of Physics Education, Faculty of Mathematics and Natural Sciences, Universitas Negeri Yogyakarta (UNY), Jl. Colombo No.1, Yogyakarta 55281, Indonesia
(3) Department of Chemistry Education, Faculty of Mathematics and Natural Sciences, Universitas Negeri Yogyakarta (UNY), Jl. Colombo No.1, Yogyakarta 55281, Indonesia
(*) Corresponding Author

Abstract

Undoped titanium dioxide (TiO₂) and a series of chromium(III) doped TiO₂ (Cr-doped TiOfig. 1₂) with various %wt Cr atom were prepared by a reflux technique. The undoped TiO₂ and Cr-doped TiO₂ of 1.1, 3.9, 4.4 %wt Cr atom have been successfully analyzed both qualitative and quantitative analysis of powder X-ray diffraction (XRD) data. The qualitative analysis was carried out with the identification of phases in all samples by comparison with Crystallography Open Database (COD) and International Centre for Diffraction Data (ICDD), while the quantitative phase analysis was calculated by reference intensity ratio (RIR) and whole-pattern fitting (Rietveld analysis) methods. The undoped TiO₂ consist of three phases: anatase, rutile, and brookite. In the 1.1 %wt Cr-doped TiO₂ are detected presenting two phases: anatase (major) and rutile (minor). In the 3.9 %wt Cr-doped TiO₂ andin the 4.4 %wt Cr-doped TiO₂ consist of anatase as major phase, while CrO₂ and TiO₂-II phases can be detected as minor phases. The undoped TiO₂ was refined in the phase, crystal system and space group of anatase (tetragonal, I4₁/amd), rutile (tetragonal, P4₂/mnm) and brookite (orthorhombic, Pbca), while the 1.1 %wt Cr-doped TiO₂ was refined based on anatase (tetragonal, I4₁/amd), rutile (tetragonal, P4₂/mnm). Finally, in the 3.9 %wt Cr-doped TiO₂and 4.4 %wt Cr-doped TiO₂,respectively were refined in the crystal system and space group of anatase (tetragonal, I4₁/amd).

Keywords

titanium dioxide; Rietveld analysis; X-ray powder diffraction

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DOI: https://doi.org/10.22146/ijc.28892