Article ID Journal Published Year Pages File Type
5376594 Chemical Physics 2006 5 Pages PDF
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.
Related Topics
Physical Sciences and Engineering Chemistry Physical and Theoretical Chemistry
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