Abstracts Book - IMRC 2018

• SF5-P076
SYNTHESIS AND SIMULATION OF TiO2 NANOPARTICLES DOPED
WITH MANGANESE
Juan Manuel Vargas Angeles 1 , Nahavi Eduardo Meneses Roldán 1 , Ariadna Sanchez Castillo 1 ,
María del Pilar Gutiérrez Amador 1
1 Universidad Autónoma del Estado de Hidalgo, Escuela Superior de Apan, Mexico.
The heterogeneous photocatalysis using TiO 2 is a technique of degradation of
organic pollutants present in wastewater effluents. The process is based on
adsorption of photons with energy higher than its band gap (3.2 eV for anatase
phase), since when TiO 2 is irradiated higher than its bandgap energy, excited
high-energy states of electron and hole pairs are generated as a result of the
promotion of an electron the valence to the conduction band. The electron and
hole pairs induce oxidation reactions in organic compunds. On other hand,
studies have found that nanoparticles have enhanced photoactivities over their
bulk-phase counterparts. In addition, depositing or incorporating transition
metal dopants into the titanium dioxide particles can influence on the
performance of these photocatalysts. This affects the dynamics of electron-hole
recombination and interfacial charge transfer. In this work, nanoparticles of Mn
doped TiO 2 were prepared by the sol-gel technique by adding different
proportions of Manganese and using titanium isopropoxide and manganese
chlorid as precursors. X-ray diffraction studies show the stability of anatase solid
solution in the different proportions tested (1-5 mol%) at 600 ° C. Spectroscopic
measurements are currently performed to determine the band gap. Firstprinciples
density functional theory calculations have been carried out to
investigate estructural, electronic and magnetic properties of anatase TiO 2 with
substitutional Mn dopant to compare and analize experimental results.
Keywords: Nanoparticles, sol-gel, photocatalysis
Presenting authors email: nahavim@gmail.com