▎ 摘 要
The synthesis of a graphene/boron nitride hybrid atomic membrane offers a novel class of line interface that is chemically coherent at the atomic scale. We employ first-principles calculations to study the adsorption of atomic hydrogen at the interface of the graphene/boron nitride monolayer. We demonstrate that hydrogen shows a remarkable selective affinity toward the zigzag-type interface in the hybrid material, with notably higher binding energy compared to the bulk graphene, boron nitride, or the armchair interface. We also show that hydrogen adsorption can be a potential route for tuning the electronic property of the hybrid atomic membrane. Our calculation indicates that adding hydrogen to the zigzag interface can cause a semiconductor-to-metal transition in the material.