Single-molecule H 2 O adsorption on the representative surfaces of lunar Regolith’s main minerals
Abstract
Abstract Understanding molecular-scale interactions of water with lunar minerals is essential for assessing the Moon’s water resources. We use first-principles calculation to examine the adsorption of a single H 2 O molecule on representative lunar mineral surfaces, resolving site-specific bonding and stability. The results show that cation identity controls both adsorption strength and mode: H 2 O binds via O-matal coordination, with Fe and Ti sites yielding stronger, more directional interactions than Ca and Mg. Charge redistribution analyses corroborate these trends. Ultimately, this work reveals the unified physical mechanisms governing the interaction of water with diverse mineral surfaces.
Fields of Study & Subjects
Planetary Science and Exploration
Origins and Evolution of Life
Clay minerals and soil interactions
Publication details
- Journal / source
- Journal of Physics Conference Series
- Publisher
- IOP Publishing
- Volume
- 3215
- Issue
- 1
- Pages
- 012009–012009
- Publication date
- 1 April 2026