Structural, Photoluminescence and Electron Density Distribution Analysis of Rutile Phase TiO2
D. Sivaganesh1, S. Saravana Kumar2, V. Siva Kumar3, S. Sasi Kumar4, R. Rajajeyaganthan5

1S. Saravana Kumar, Department of Physics, International Research  Centre, Kalasalingam Academy of Research and Education College, Krishnankoil (Tamil Nadu), India.
2D. Sivaganesh, Department of Physics, International Research Centre, Kalasalingam Academy of Research and Education College, Krishnankoil (Tamil Nadu), India.
3S. Sasi Kumar, Department of Physics, International Research Centre, Kalasalingam Academy of Research and Education College, Krishnankoil (Tamil Nadu), India.
4V. Siva Kumar, Department of Physics, International Research Centre, Kalasalingam Academy of Research and Education College, Krishnankoil (Tamil Nadu), India.
5R. Rajajeyaganthan, Department of Chemistry, International Research Centre, Kalasalingam Academy of Research and Education College, Krishnankoil (Tamil Nadu), India.
Manuscript received on 12 January 2020 | Revised Manuscript received on 29 January 2020 | Manuscript Published on 04 February 2020 | PP: 144-148 | Volume-8 Issue-4S4 December 2019 | Retrieval Number: D10491284S419/2019©BEIESP | DOI: 10.35940/ijrte.D1049.1284S419
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© The Authors. Blue Eyes Intelligence Engineering and Sciences Publication (BEIESP). This is an open access article under the CC-BY-NC-ND license (http://creativecommons.org/licenses/by-nc-nd/4.0/)

Abstract: In this work, the mixed anatase and rutile phases of commercial TiO2 sample was purchased and converted to single rutile phase by sintering at 1000°C. Structural and spectroscopic analysis of the single phased rutile TiO2 were analyzed by PXRD, SEM, EDS, PL analysis, respectively. Rietveld profile refinement technique was performed to fit the observed and calculated PXRD profiles. Charge density distribution studies were used to determine the chemical bonding nature of Ti-O bond by maximum entropy method (MEM). From the MEM calculations, Ti-O bond exhibited covalent nature. PL measurements showed that the emission wavelength of rutile TiO2 at around 470 nm which may be due to band to band transitions of Ti and O atoms.
Keywords: Powder X-ray Diffraction, Rietveld Method, Scanning Electron Microscopy, Charge Density Distribution.
Scope of the Article: Structural Engineering