Slabs of Crystallographic Planes of Rutile TiO2 as a Photocatalytic Surface

N. T. Tayade¹ , M. P. Tirpude² , P. R. Arjunwadkar³

Section:Research Paper, Product Type: Isroset-Journal
Vol.7 , Issue.1 , pp.60-64, Feb-2019

CrossRef-DOI:   https://doi.org/10.26438/ijsrpas/v7i1.6064

Online published on Feb 28, 2019

Copyright © N. T. Tayade, M. P. Tirpude, P. R. Arjunwadkar . This is an open access article distributed under the Creative Commons Attribution License, which permits unrestricted use, distribution, and reproduction in any medium, provided the original work is properly cited.
 

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Abstract :
This study is initially dealing with the density of states of the rutile TiO2 system and then dealing with the system made from the crystallographic plane in term of the slab. Four slabs (corresponding to the planes (110), (101), (211) and (301)) had been chosen for the study. These slabs assumed to be having the free surfaces of its solid and involved in a catalytic activity as a photocatalyst. The nature of such surfaces as a catalyst has been studied from their electron density of state in this paper. The variation in Band gap and nature of DOS was found significantly different. The work has reported (110) plane surface would be better compare to other as a free surface for the application as a photocatalyst.

Key-Words / Index Term :
Photocatalyst slab, DFT, Density of states, Energy band gap, slabs of rutile TiO2

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