LAUSR

Abstract Triangulene has drawn great attention due to its extraordinary chemical and material properties. This magnetic molecule has the ferromagnetic ground state due to its two unpaired π electrons, making it suitable for spintronic applications. In this work, a triangulene based spin-photovoltaic device is proposed using a two-probe model. The quantum transport and spin current in triangulene device under the light irradiation are investigated based on the density functional theory combined with the nonequilibrium Green's functions. We finds that by adjusting photon energy ( E p h ) and gate voltage ( V g ), the proposed device can produce large pure spin current without charge current. The origin of the pure spin current is also analyzed based on the through-bond mechanism. Our work may provide theoretical reference for design of novel spintronic device with high performance.