Work

Anisotropy and polarization-sensitive photodetection performance of TeMoSiP2/ZnO heterostructure

Year: 2026

Type: article

Abstract: Taking advantage of the structural asymmetry of Janus TeMoSiP 2 , this work innovatively constructs gradient heterojunctions of ZnO/Te and ZnO/P, which are fabricated by depositing ZnO onto the Te-terminated and P-terminated surfaces of Janus TeMoSiP 2 , respectively. Density functional theory calculations verify their kinetic, thermodynamic, and mechanical stability. Both heterojunctions are Type-I direct-bandgap semiconductors with band gaps of 1.65 eV and 1.64 eV, and possess a strong interfacial built-in potential difference of 13.35–14.19 eV, leading to much higher visible-light absorption than the intrinsic material. These heterostructures show distinct anisotropy: ZnO/P has a Young’s modulus of 126–138 N m⁻ 1 with strong mechanical anisotropy, while ZnO/Te exhibits weak in-plane mechanical anisotropy (220–230 N m⁻ 1 ). Electronically, ZnO/Te shows carrier-dependent anisotropy, and ZnO/P has high electron mobility up to 18.459 × 10 3 cm 2 V⁻ 1 s⁻ 1 . Biaxial strain from ﹣6 % to ＋6 % enables tunable band gaps and optical absorption, with ZnO/Te becoming metallic under compressive strain. Their photodetection performance is orientation-dependent, yielding a photocurrent of 37.7 a 0 2 /photon for ZnO/P (Zigzag) and an extinction ratio of 45.9 for ZnO/Te (Armchair). This study reveals the structure–performance anisotropy mechanism in differently stacked ZnO/TeMoSiP 2 heterostructures, offering theoretical guidance for high-performance directional photodetector design.

Source: Solar Energy

DOI: 10.1016/j.solener.2026.115196