The tunable electronic and optical properties of WS2/PtO2 heterojunctions are calculated by first principles

In this paper, the optical and electrical characteristics of WS2/PtO2 heterojunction are calculated by first principles method. The results show that WS2/PtO2 heterojunction is a semiconductor heterojunction with an indirect bandgap of 0.7 eV and a Type-II band distribution, which can achieve rapid division and transport of photogenerated carriers. Its narrow band gap has a unique electronic structure and tunability, which shows great application potential in high-performance optoelectronic devices and solar cells. When we apply biaxial strain and electric field, the WS2/PtO2 heterojunction has semiconductor-metal transition. This transformation can be used in electronic devices to regulate the carrier concentration and transport characteristics in electronic devices. It also shows excellent properties in optics. The above shows that the stable structure and tunable electronic properties make WS2/PtO2 heterojunctions hold significant promise for future optoelectronic devices and other applications.