TY - CHAP AU - Yeliz Gurdal AU - Marcella Iannuzzi ED - Magdalena Janus Y1 - 2017-07-26 PY - 2017 T1 - DFT-based Theoretical Simulations for Photocatalytic Applications Using TiO2 N2 - Titanium dioxide is mainly used as a pigment and photocatalyst. It is possible to find it in food, cosmetics, building materials, electric devices, and others. This book contains chapters about characteristics of anatase and rutile crystallographic structure of titanium dioxide and the use of theoretical calculation for photoactivity determination. BT - Titanium Dioxide SP - Ch. 8 UR - https://doi.org/10.5772/intechopen.68976 DO - 10.5772/intechopen.68976 SN - 978-953-51-3414-5 PB - IntechOpen CY - Rijeka Y2 - 2024-04-25 ER -