Comparative study of metal atom adsorption on free-standing h-BN and h-BN/Ni (1Â 1Â 1) surfaces

- The adsorption behavior of metal atoms on a free-standing h-BN and an h-BN/Ni (1 1 1).
- Ni (1 1 1) layer could significantly improves the adsorption energies for the adatoms.
- For Li and Sc, the improved adsorption energies were higher than cohesive energies.
- The strong adsorptions were due to the charge transfer and the interface interaction.
- A metal-adsorbed h-BN/Ni (1 1 1) has good potential for nanosensors and nanocatalysts.