Single‐Walled ZnSe Nanotubes for High‐Performance Photodetectors: A Computational Prediction

Abstract

Low‐dimensional nanomaterials show great potential for developing semiconducting materials due to their distinct electronic, optical, and mechanical properties. In this study, we constructed various one‐dimensional ZnSe nanotubes and investigated their transport and photoresponse properties by using the density functional theory (DFT) and non‐equilibrium Green's function (NEGF) method. Under bias regulation, one‐dimensional tetragonal ZnSe nanotube curled along the diagonal can reach a current of 111.3 μA at a bias of 4.0 eV. It is worth noting that for all considered photon energies, the photocurrent exhibits a cosine dependence on the polarization angle, which is consistent with the photogalvanic effect. The results show that our constructed ZnSe nanotubes have potential for applications in electronic and optoelectronic devices.