Effect of the Number of Phenylcarbazole Units Adorned to the Silicon Atom for High Triplet Energy with High Charge Mobility.

ABSTRACT: Increasing the number of phenylcarbazole (PC) units attached to the silicon atom in organic solid-state thin films led to a remarkable enhancement in charge mobility. Specifically, the charge mobility values exhibited an increase from 1.32 × 10^-4 cm²/Vs for 3PCBP to 4.39 × 10^-4 cm²/Vs for 2MCBP, ultimately reaching 1.16 × 10^-3 cm²/Vs for MCBP. Notably, these enhancements were achieved while maintaining a high triplet energy of 3.01 eV. DFT calculations on the spin density distribution provided insights into the nature of the improved mobility while preserving the triplet energy. The accuracy of the DFT calculations was validated by comparing the results with experimental data from photoemission spectrosc

SUBMITTER: Ahn M 

PROVIDER: S-EPMC11820696 | biostudies-literature | 2025 Jan

REPOSITORIES: biostudies-literature