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cond-mat.mtrl-sci2024
Towards decoding the structure of water-magnetite interface
Salvatore Romano, Harsharan Kaur, Moritz Zelenka +9
The molecular structure of water at iron-oxide interfaces is determined by the protonation state, orientation and population of interfacial OH species. These microscopic features c…
physics.comp-ph2024★ 1 cited
Structure and dynamics of the magnetite(001)/water interface from molecular dynamics simulations based on a neural network potential
Salvatore Romano, Pablo Montero de Hijes, Matthias Meier +3
The magnetite/water interface is commonly found in nature and plays a crucial role in various technological applications. However, our understanding of its structural and dynamical…