Theoretical study of the influence of doped oxygen group elements on the properties of organic semiconductors.

ABSTRACT: Organic semiconductor materials are widely used in the field of organic electronic devices due to their wide variety, low price, and light weight. However, their developments are still restrained by their low stability and carrier mobility. Density functional theory (DFT) was used to study the influence of doped oxygen group elements (O, S, Se, and Te) on the properties of organic semiconductor materials (seven-membered benzothiophene, o-pentacene, thiophene derivatives, and pentacene) in this paper. Based on the calculation of E _HOMO, E _LUMO, ΔE, and total energy, the performances of organic semiconductor materials without and with doped elements were compared, and it was found that the doping of multi-element Te makes the material have hi

SUBMITTER: Liu A 

PROVIDER: S-EPMC9419607 | biostudies-literature | 2021 Jun

REPOSITORIES: biostudies-literature