HIGHLIGHTS
- who: Sebastian Hutsch from the (UNIVERSITY) have published the paper: Charge carrier mobilities of organic semiconductors: ab initio simulations with mode-specific treatment of molecular vibrations, in the Journal: (JOURNAL)
- what: To assess the predictive capability of the approach statistically, it is applied to 20 prototypical organic crystals with known experimental mobilities that span two orders of magnitude. While Eq enables the calculation of the mobility in any possible direction, here the authors focus on the maximum intrinsic mobility in transport direction. To study this effect, the authors compare the simulated mobility using the original . . .
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