High-Mobility Naphthalene Diimide Derivatives Revealed by Raman-Based In Silico Screening

High-Mobility Naphthalene Diimide Derivatives Revealed by Raman-Based In Silico Screening

Charge transport in crystalline organic semiconductors (OSCs) is considerably hindered by low-frequency vibrations introducing dynamic disorder in the charge transfer integrals. Recently, we have shown that the contributions of various vibrational modes to the dynamic disorder correlate with their R...

Full description

Bibliographic Details
Main Authors: Mikhail V. Vener, Oleg G. Kharlanov, Andrey Yu. Sosorev
Format: Article
Language:English
Published: MDPI AG 2022-11-01
Series:International Journal of Molecular Sciences
Subjects:
periodic (solid-state) DFT calculations
low-frequency Raman spectrum
organic semiconductors
charge-carrier mobility calculations
dynamic disorder
Online Access:https://www.mdpi.com/1422-0067/23/21/13305

Internet

https://www.mdpi.com/1422-0067/23/21/13305

Similar Items