Understanding Defect-Mediated Ion Migration in Semiconductors using Atomistic Simulations and Machine Learning.

ABSTRACT: Ion migration in semiconductor devices is facilitated by the presence of point defects and has a major influence on electronic and optical properties. It is important to understand and identify ways to mitigate photoinduced and electrically induced defect-mediated ion migration in semiconductors. In this Perspective, we discuss the fundamental mechanisms of defect-mediated ion migration and diffusion as understood through atomistic simulations. The discussion covers a variety of case studies from the literature, with a special focus on metal halide perovskites, important materials for solar absorption and related optoelectronic applications. Tuning the perovskite composition and dimensionality and applying systematic strains are identified as ways to suppress phase segregation and ion migr

SUBMITTER: Rahman MH 

PROVIDER: S-EPMC11565286 | biostudies-literature | 2024 Nov

REPOSITORIES: biostudies-literature