Electronic and Near-Infrared-II Optical Properties of I-Doped Monolayer MoTe₂: A First-Principles Study.

ABSTRACT: Near-infrared-II (NIR-II, 1000-1700 nm) fluorescence imaging is widely used for in vivo biological imaging. With the unique electronic structures and capability of band-gap engineering, two-dimensional (2D) materials can be potential candidates for NIR-II imaging. Herein, a theoretical investigation of the electronic structure and optical properties of iodine (I)-doped monolayer MoTe₂ systems with different doping concentrations is carried out through simulations to explore their NIR optical properties. The results suggest that the emergence of impurity levels due to I doping effectively reduces the bandwidth of I-doped monolayer MoTe₂ systems, and the bandwidth decreases with the increase in the I doping concentration. Although the I and Mo atoms possess clear covale

SUBMITTER: Zhao Y 

PROVIDER: S-EPMC9016853 | biostudies-literature | 2022 Apr

REPOSITORIES: biostudies-literature