Understanding Sulfide Minerals from First Principles: Surfaces, Reactivity and Emerging 2D Materials

Speaker

Prof. Hélio A. Duarte, Department of Chemistry - Federal University of Minas Gerais, Brazil

Abstract 

Sulfide minerals are the primary natural sources of many elements that are critical for advanced technologies and the energy transition, including rare earth elements and non-ferrous metals such as copper, silver, and platinum. The growing global demand for these strategic elements has intensified the need for sustainable mining processes and effective mitigation of environmental impacts associated with mineral extraction and waste disposal.

Over the past 12 years, we have investigated sulfide minerals and their reactivity using computational and theoretical approaches, aiming to understand key processes at the atomic scale. These include the electronic and structural properties of sulfide systems, acid rock drainage, surface oxidation mechanisms, phase transformations and leaching behaviour.

In this presentation, we will discuss recent advances from our group, focusing on the oxidation mechanisms of chalcopyrite, the structural and thermodynamic properties of pyrrhotite, and the emergence of naturally occurring two-dimensional sulfide materials, which show promising potential for technological applications.

Biography

Prof. Hélio A. Duarte is a Full Professor at the Department of Chemistry, Federal University of Minas Gerais (UFMG) in Brazil, since 2012. He obtained his degree in Chemical Engineering (1990) and his M.Sc. in Inorganic Chemistry (1993) from UFMG. He earned his Ph.D. in Theoretical Chemistry under the supervision of Prof. Dennis R. Salahub at the University of Montreal, Canada.

He has authored approximately 140 scientific papers (h-index = 37). His research focuses on the fundamental understanding of chemical reactivity at surfaces and chemical speciation, with applications in environmental chemistry, mining, and the energy transition. 

He has coordinated and participated in major national research initiatives, including National Institutes for Science and Technology (INCTs) in Water, Mineral Resources and Biodiversity, as well as projects on Sustainable Materials for the Energy Transition and High-Performance Mineral-Based Materials and Processes.

His main research interests include sulfide mineral reactivity, adsorption at water–mineral interfaces, and separation processes such as flotation and rare earth element recovery.