DFT study of the reduction reaction of calcium perchlorate on olivine surface

Implications to formation of Martian’s regolith

Document identifier: oai:DiVA.org:ltu-77702
Access full text here:10.1016/j.apsusc.2020.145634
Keyword: Natural Sciences, Mars, Atmospheric science, Density Functional Theory (DFT), Infrared spectroscopy, Redox, Physisorption, Chemisorption, Olivine, (1 0 0) forsterite surface, Regolith, Magnesium peroxide, Ozone, Chlorite, Chlorate, Water, Chemical Sciences, Oxygen, Reduction, Calcium perchlorate, Rymd- och flygteknik, Maskinteknik, Teknik och teknologier, Aerospace Engineering, Mechanical Engineering, Engineering and Technology, Materialkemi, Kemi, Naturvetenskap, Materials Chemistry, Atmosfärsvetenskap
Publication year: 2020
Relevant Sustainable Development Goals (SDGs):
SDG 9 Industry, innovation and infrastructureSDG 6 Clean water and sanitation
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Abstract:

Perchlorates have been found widespread on the surface of Mars, their origin and degradation pathways are not understood to date yet. We investigate here, from a theoretical point of view, the potential redox processes that take place in the interaction of Martian minerals such as olivine, with anhydrous and hydrated perchlorates. For this theoretical study, we take as mineral substrate the (1 0 0) surface of forsterite and calcium perchlorate salt as adsorbate. Our DFT calculations suggests a reduction pathway to chlorate and chlorite. When the perchlorate has more than 4 water molecules, this mechanism, which does not require high-temperature or high energy sources, results in parallel with the oxidation of the mineral surface, forming magnesium peroxide, MgO2, and in the formation of ClO3, which through photolysis is known to form ClO-O2. Because of the high UV irradiance that reaches the surface of Mars, this may be a source of O2 on Mars. Our results suggest that this process may be a natural removal pathway for perchlorates from the Martian regolith, which in the presence of atmospheric water for salt hydration, can furthermore lead to the production of oxygen. This mechanism may thus have implications on the present and future habitability of the Martian surface.

Authors

Elizabeth Escamilla-Roa

Luleå tekniska universitet; Rymdteknik; Instituto Andaluz de Ciencias de la Tierra (CSIC-UGR), Granada, Spain
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María-Paz Zorzano Mier

Luleå tekniska universitet; Rymdteknik; Centro de Astrobiología (INTA-CSIC), Torrejón de Ardoz, Madrid, Spain
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Javier Martin-Torres

Luleå tekniska universitet; Rymdteknik; Instituto Andaluz de Ciencias de la Tierra (CSIC-UGR), Granada, Spain
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Alfonso Hernández-Laguna

Instituto Andaluz de Ciencias de la Tierra (CSIC-UGR), Granada, Spain
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C.Ignacio Saínz-Díaz

Instituto Andaluz de Ciencias de la Tierra (CSIC-UGR), Granada, Spain
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