Magnetic ordering and half-metallicity in hydrogenated graphene-hBN nanoribbons

Graphene (Gr) and hexagonal boron nitride (hBN) nanoribbons have shown significant potential for various applications owing to their unique electronic and magnetic properties. This study explored the effects of hydrogenation on the magnetic and electronic properties of Gr-hBN nanoribbons (Gr/BNNRs). The influence of hydrogenation of one or both edges, i.e., Gr edge and B or N edge, combined with different interface types, on the magnetic ordering and occurrence of half-metallicity in Gr/BNNRs was investigated using spin-polarized density functional theory. The findings reveal that hydrogenation induces ferromagnetism or ferrimagnetism, depending on the edge and interface configuration, and leads to half-metallicity in several configurations. These properties suggest Gr/BNNRs as promising materials for spintronic devices, where the ability to control magnetic ordering and electronic behavior via edge hydrogenation could be pivotal. The results highlight the potential for fine-tuning magnetic and electronic properties in Gr/BNNRs, paving the way for their application in advanced spin-based technologies.