Pure spin currents induced by asymmetric H-passivation in B₃C₂P₃ nanoribbons

Inspired by the recently reported novel two-dimensional material B₃C₂P₃, we performed one-dimensional shearing along the zigzag direction to obtain four B₃C₂P₃ nanoribbons with various edge atom combinations. An asymmetric hydrogen passivation scheme was employed to modulate the electronic properties and successfully open the band gap, especially the 2H-1H passivation with dihydrogenation and monohydrogenation at the top and bottom edges, respectively, achieving bipolar magnetic semiconductors with edge P-atoms contributing to the main magnetism. Furthermore, three crucial spin-polarized transmission spectra yielded a significant spin-dependent Seebeck effect (SDSE), displaying superior thermoelectric conversion capabilities by generating pure spin currents. Our work shows that this asymmetric H-passivation effectively enables the enhancement of the spin caloritronic transport properties of the B₃C₂P₃, which is of great significance for the exploitation of novel materials and their applications in spintronics.