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O: Fachverband Oberflächenphysik

O 87: Solid-liquid interfaces: Structure, spectroscopy

O 87.3: Vortrag

Donnerstag, 12. März 2026, 15:30–15:45, TRE/PHYS

Interfacial non-Markovian friction determines non-linear spectral shifts at the water-graphene interface — •Johannes Schröter, Louis Lehmann, Shane Carlson, and Roland R. Netz — FU Berlin, Fachbereich Physik, Arnimallee 14 14195 Berlin

Understanding the behavior of aqueous interfaces is crucial for various applications. In particular, the graphene water interface plays a key role for energy storage and energy conversion, however, its properties remain poorly understood. Using DFT molecular dynamics simulations we show that the sum-frequency signal of non-hydrogen bonded OH bonds is significantly red-shifted at the water-graphene compared to the water-air interface, in agreement with recent experiments. The red shift is demonstrated to be caused by non-Markovian friction between the graphene surface and interfacial water, which offers a direct method to extract solid-water interfacial friction properties from non-linear spectroscopy.

Keywords: interfacial water; sum-frequency generation spectroscopy; non-markovian friction; graphene interface