Interfacial Electric Fields Acting on Molecules at Solid Interfaces

Journal article

Publication Details

Author list: Rezania B., Valencia A.M., Cojal González J.D., Severin N., Cocchi C., Rabe J.P.

Journal: Journal of Physical Chemistry C

Publication year: 2022

Volume number: 126

Issue number: 13

Pages: 6028-6035

Publisher: American Chemical Society


Languages: 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.


Last updated on 2022-03-11 at 15:45