@article{SILVEIRA2023122570,
title = {A comprehensive study of the reduction of nitrate on natural FeTiO3: Photocatalysis and DFT calculations},
author = {Jefferson E. Silveira and Aramille S. Souza and Fernando N. N. Pansini and Alyson R. Ribeiro and Wanderlã L. Scopel and Juan A. Zazo and Jose A. Casas and Wendel S. Paz},
url = {https://www.sciencedirect.com/science/article/pii/S1383586622021268},
doi = {https://doi.org/10.1016/j.seppur.2022.122570},
issn = {1383-5866},
year = {2023},
date = {2023-01-01},
journal = {Separation and Purification Technology},
volume = {306},
pages = {122570},
abstract = {Experimental and theoretical investigation of the capacity of the natural ilmenite (FeTiO3) to reduce nitrate (NO3−) from ultra-pure and mineral water is presented. A comprehensive mechanism of NO3− photocatalytic transformation is proposed regarding the density functional theory (DFT) calculations and the photocatalytic reduction of nitrate. When ultra-pure water is employed, the nitrate is totally converted to NOX (2%) and N2 (98%) after 210 min. Additionally, using the stoichiometric dose of oxalate, the nitrate also vanishes from the mineral water, forming NO2−, NOX, and N2 as products. Thus, the findings reveal that natural ilmenite can be a great candidate for reducing NO3− in contaminated water.},
keywords = {DFT, Ilmenite, Nitrate, Photoreduction},
pubstate = {published},
tppubtype = {article}
}
