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- W2973188893 abstract "Molecular vibrations play a critical role in the charge transport properties of weakly van der Waals bonded organic semiconductors. To understand which specific phonon modes contribute most strongly to the electron-phonon coupling and ensuing thermal energetic disorder in some of the most widely studied high mobility molecular semiconductors, state-of-the-art quantum mechanical simulations of the vibrational modes and the ensuing electron phonon coupling constants are combined with experimental measurements of the low-frequency vibrations using inelastic neutron scattering and terahertz time-domain spectroscopy. In this way, the long-axis sliding motion is identified as a killer phonon mode, which in some molecules contributes more than 80% to the total thermal disorder. Based on this insight, a way to rationalize mobility trends between different materials and derive important molecular design guidelines for new high mobility molecular semiconductors is suggested." @default.
- W2973188893 created "2019-09-19" @default.
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- W2973188893 date "2019-09-12" @default.
- W2973188893 modified "2023-10-16" @default.
- W2973188893 title "Chasing the “Killer” Phonon Mode for the Rational Design of Low‐Disorder, High‐Mobility Molecular Semiconductors" @default.
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- W2973188893 doi "https://doi.org/10.1002/adma.201902407" @default.
- W2973188893 hasPubMedId "https://pubmed.ncbi.nlm.nih.gov/31512304" @default.
- W2973188893 hasPublicationYear "2019" @default.
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