First-principles predictions and APCVD-based synthesis of two-dimensional ZnTe

Zinc telluride (ZnTe), a prominent II-VI semiconductor, exhibits exceptional optoelectronic properties, including rare p-type conductivity, making it ideal for applications such as green light-emitting diodes (LEDs), p-n junctions, and van der Waals heterostructures. This study investigates the optoelectronic characteristics of two-dimensional ZnTe through first-principles calculations and validates its synthesis via a novel atmospheric pressure chemical vapor deposition (APCVD) method. Theoretical predictions reveal a direct bandgap, strong ultraviolet-visible light absorption, and efficient charge separation capabilities. Experimentally, a BiOCl-catalyzed APCVD approach is developed to synthesize high-quality ZnTe nanomaterials at reduced temperatures (410 - 470 °C), minimizing environmental impact while ensuring scalability. Structural and optoelectronic characterizations confirm the uniformity, crystallinity, and functionality of the synthesized materials, aligning closely with computational results. This work establishes a robust framework for the scalable production of 2D ZnTe and underscores its promise in photodetectors, sensors, and energy conversion devices.