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Beschreibung

Charge transfer at solid interfaces and ensuing interfacial electric fields on the order of 109V/m are ubiquitous in nanostructures and hybrid materials. Here, we address how intrinsic interfacial electric fields alter the structural properties of intercalated molecules considering the optically transparent and atomically flat graphene-mica interface and confined rhodamine 6G dyes as a model system. Using a combination of Raman spectroscopy and atomistic simulations based on density-functional theory and classical molecular dynamics, we show that the observed softening of Raman-active modes of the confined molecules is due to mechanical deformations within the latter and to the action of interfacial electric fields exceeding 109V/m. Our findings contribute to the general understanding of the role of interfacial electric fields in molecule/solid interfaces, thereby opening new perspectives for controlling catalytic activities of such complex systems.