Martina Lessio

Dr. Marta Lessio is a computational chemist with expertise in surface science, electrocatalysis, and materials chemistry. Her research focuses on understanding the mechanisms of electrochemical reactions, particularly CO₂ reduction and hydrogen evolution, using advanced computational methods such as density functional theory (DFT), molecular dynamics, and quantum mechanics. She has made significant contributions to the field of semiconductor photoelectrochemistry, particularly in the context of pyridine-catalyzed CO₂ reduction on p-GaP surfaces. Dr. Lessio has also explored the role of surface-bound hydrides and hydroxides in electrochemical processes, as well as the adsorption and reactivity of molecules on semiconductor surfaces. Her work has been published in top-tier journals such as *Journal of the American Chemical Society*, *ACS Catalysis*, *ACS Energy Letters*, and *Chemistry of Materials*. She is currently affiliated with the University of Sydney, where she continues to advance the frontiers of computational electrochemistry and sustainable energy technologies.

Martina Lessio is a computational materials scientist at the University of New South Wales (UNSW) with research interests in Computational Materials Science, Renewable Energy, Catalysis, and Water treatment. Her work focuses on understanding electrocatalytic CO2 reduction mechanisms, surface interactions in semiconductor photoelectrodes, and the role of ligands and functionalized materials in catalytic processes. She investigates the behavior of pyridine and water on GaP and CdTe surfaces, as well as the properties of metal-organic frameworks (MOFs) for water treatment and heavy metal removal. Her research combines theoretical and experimental approaches to advance sustainable energy and environmental technologies.