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• W2051402917 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." @default.
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• W2051402917 date "2006-11-01" @default.
• W2051402917 modified "2023-09-27" @default.
• W2051402917 title "A compact model system for electron–phonon calculations in discotic materials" @default.
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• W2051402917 doi "https://doi.org/10.1016/j.chemphys.2006.09.006" @default.
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