Feasibility of p-Doped Molecular Crystals as Transparent Conductive Electrodes via Virtual Screening.

ABSTRACT: Transparent conducting materials are an essential component of optoelectronic devices. It is proven difficult, however, to develop high-performance materials that combine the often-incompatible properties of transparency and conductivity, especially for p-type-doped materials. In this work, we have employed a large set of molecular semiconductors extracted from the Cambridge Structural Database to evaluate the likelihood of transparent conducting material technology based on p-type-doped molecular crystals. Candidates are identified imposing the condition of high highest occupied molecular orbital (HOMO) energy level (for the material to be easily dopable), high charge carrier mobility (for the material to display large conductivity when doped), and a high threshold for energy absorption (

SUBMITTER: Nematiaram T 

PROVIDER: S-EPMC9097283 | biostudies-literature | 2022 May

REPOSITORIES: biostudies-literature