Water structure at solid surfaces and its implications for biomolecule adsorption

Abstract

The ordered arrangement of water molecules at solid surfaces is a consequence of hydrogen-bonding opportunities, electrostatic and dipolar interactions, and specific interactions with the surface. This perspective highlights recent understanding of this water structure at the solid–liquid interface. We discuss findings from three experimental techniques (attenuated total internal reflection infrared spectroscopy, second harmonic generation spectroscopy, and vibrationally-resonant sum-frequency generation spectroscopy) and two simulation approaches (molecular dynamics and Monte Carlo simulations). In each case, we also provide examples of how these techniques reveal the importance of interfacial water organization in rationalizing the structure of adsorbed biomolecules.