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Talk: Iron sulfide minerals, Phase stability and oxidation behaviour

Next Friday 8th February at 11:45h in Aula QF, Dr. Umberto Terranova  (School of Chemistry, University of Cardiff, UK.) will give the following talk:

Iron sulfide minerals: Phase stability and oxidation behaviour

Iron sulfide polymorphs with formula FeS are thought to compose the cores of Earth and Mars, which is suggested by the presence of FeS minerals in many meteorites. This possibility has sparked interest in investigating the FeS phases forming at extreme thermodynamic conditions. In the first part of my talk, I will show how a density functional theory approach can be used to provide insights into the stability and the thermodynamic properties of the FeS phases at high pressure and temperature. In addition to planetary science, iron sulfide minerals are also involved in some theories on the origin of life, which has triggered their investigation as promising catalysts for CO2 conversion. FeS compounds are very reactive towards molecular oxygen, which is easily incorporated into their surfaces when exposed to air. In the second part of my talk, I will discuss how density functional theory can help explain the early oxidation mechanism of troilite, i.e. the FeS phase stable at ambient conditions