Theoretical insights into adsorption behaviors and 17O nuclear magnetic resonance investigations of water clusters over xylitol-decorated hexagonal boron nitride

Puntos clave

• Adsorption behavior of water clusters over xylitol-decorated hexagonal boron nitride shows significant molecular interaction.
• Key findings demonstrate distinct changes in adsorption dynamics under various conditions measured using nuclear magnetic resonance.
• Theoretical insights derive from extensive modeling and simulation framework focused on adsorption processes and molecular configurations.
• Findings highlight the importance of surface decoration in manipulating adsorption properties, needing further experimental validation.