Interfacial Electric Fields Acting on Molecules at Solid Interfaces


Details zur Publikation

Autor*innen: Rezania B., Valencia A.M., Cojal González J.D., Severin N., Cocchi C., Rabe J.P.

Zeitschrift: Journal of Physical Chemistry C

Jahr der Veröffentlichung: 2022

Bandnummer: 126

Heftnummer: 13

Seiten: 6028-6035

Verlag: American Chemical Society


Sprachen: English-Great Britain


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.


Zuletzt aktualisiert 2022-03-11 um 15:45