Multi-Scale Modeling of Transistors Based on the 2D Semiconductor Bi2O2Se

The growing interest in 2D materials for novel electronic devices has sparked extensive research into their properties. These atomically thin materials, such as graphene and transition metal dichalcogenides, possess unique properties that make them highly appealing for various applications. In this context, our study focuses on investigating the material and non-ideal properties of the 2D layered semiconductor bismuth oxyselenide (Bi
2
O
2
Se) and its native oxide Bi
2
SeO
5
. Through a multi-scale simulation approach combining density functional theory (DFT) with technology computer-aided design (TCAD), we extract critical parameters and simulate transfer characteristics, demonstrating the potential of these materials in nano-electronics.