Article ID | Journal | Published Year | Pages | File Type |
---|---|---|---|---|
5376594 | Chemical Physics | 2006 | 5 Pages |
Abstract
Electron-phonon coupling underlies the unwanted rapid relaxation of electrically excited states in potential organic solar-cell materials. A compact model for the vibrational dynamics of 2,3,6,7,10,11-hexakishexyloxytriphenylene (HAT6) is derived from the combined use of inelastic neutron scattering (INS) spectroscopy and first-principles calculations. Because this model reproduces the essential features of the vibrational dynamics and electronic structure on the aromatic core of HAT6 it can be used as a basis for future calculations of the relaxation mechanisms of the electronically excited states.
Keywords
Related Topics
Physical Sciences and Engineering
Chemistry
Physical and Theoretical Chemistry
Authors
Olga Kruglova, Fokko M. Mulder, Arek Kotlewski, Stephen J. Picken, Stewart Parker, Mark R. Johnson, Gordon J. Kearley,