The Polymer Society of Korea

Abstract

Driven by demands for miniaturization, high efficiency, and multifunctionality, research on next-generation optoelectronic devices is extending beyond conventional silicon-based technologies to novel functional materials. Low-dimensional materials, including two-dimensional materials such as graphene and transition metal dichalcogenides, zero-dimensional quantum dots, and metal-halide perovskites, have attracted significant attention due to their unique optoelectronic properties. This presentation introduces a simulation-driven design approach based on first-principles electronic structure calculations to investigate low-dimensional materials and interfacial charge transfer. Emphasis will be placed on linking simulation results with experimental observations and device performance. This approach establishes an effective pathway for accelerating the development of next-generation optoelectronic devices, including neuromorphic devices, solar cells, and photodetectors.