A first-principle study on adsorption of atomic hydrogen on the two-dimensional hexagonal boron nitride monolayer

Atomic hydrogen is likely to chemisorb on TB site. With multiple hydrogen atoms, adsorbed hydrogen atoms will migrate or hop close to each other, forming stable aggregation states such as dimer, trimer, and the hydrogen domain with single side. When requested, hydrogen can be forced to disport by inverting external electric force field or thermal driving to the 2D h-BN monolayer.84