FURI | Fall 2020

Investigation on the Adsorption of Selenium Oxo-anions on Alumina and Hematite Surfaces

Selenium, in form of oxo-anions – Selenate and Selenite, has been identified as a toxic substance present in drinking water. Researchers have found that metal oxides nanoparticles such as Hematite and Alumina are the adsorbent materials that can reduce selenium content by adsorbing Selenate and Selenite. The adsorbance capacity depends on many factors including configurations of oxo-anions, the degrees of protonation, and the effect of different adsorbent materials. The goal of this research is using first principle calculations to understand these factors, which are important in designing selective models that can improve water resources efficiently using less energy and low cost.