2 papers
cond-mat.mtrl-sci2025
Electrons and phonons in pentacene, insights from comparison between experiment and simulations
Luca Gnoli, Elisabetta Venuti, Matteo Masino +1
We have performed a comprehensive computational study of the vibrational properties and electron-phonon couplings in the three known polymorphs of pentacene. Vibrational patterns a…
cond-mat.mtrl-sci2025
Electron-phonon coupling and mobility modeling in organic semiconductors: method and application to tetracene polymorphs
Patrizio Graziosi, Raffaele Guido Della Valle, Tommaso Salzillo +5
We have developed a first-principles method to calculate the electron-phonon coupling for specific modes and q-points in the Brillouin Zone for crystalline organic semiconductors.…