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Formation of hexagonal boron nitride by metal atomic vacancy-assisted b-n molecular diffusion

Journal Article


Abstract


  • Because of the low solubility of N atoms in metals, hexagonal boron nitride (h-BN) growth has explained by surface reaction on metal rather than by penetration/precipitation of B and N atoms in metal. Here, we present an impressive pathway of h-BN formation at the interface between Ni and oxide substrate based on B-N molecular diffusion into Ni through individual atomic vacancies. First-principles calculations confirmed the formation energies of the h-BN layers on and under the metal and the probability of B-N molecular diffusion in metal. The interface growth behavior depends on the species of metal catalysts, and these simulation results well support experimental results.

UOW Authors


  •   Han, Sanga (external author)

Publication Date


  • 2015

Citation


  • Park, S., Lee, J., Kim, H. S., Park, J. B., Lee, K. H., Han, S. A., . . . Shin, H. J. (2015). Formation of hexagonal boron nitride by metal atomic vacancy-assisted b-n molecular diffusion. ACS Nano, 9(1), 633-638. doi:10.1021/nn505960b

Scopus Eid


  • 2-s2.0-84921820608

Start Page


  • 633

End Page


  • 638

Volume


  • 9

Issue


  • 1

Place Of Publication


Abstract


  • Because of the low solubility of N atoms in metals, hexagonal boron nitride (h-BN) growth has explained by surface reaction on metal rather than by penetration/precipitation of B and N atoms in metal. Here, we present an impressive pathway of h-BN formation at the interface between Ni and oxide substrate based on B-N molecular diffusion into Ni through individual atomic vacancies. First-principles calculations confirmed the formation energies of the h-BN layers on and under the metal and the probability of B-N molecular diffusion in metal. The interface growth behavior depends on the species of metal catalysts, and these simulation results well support experimental results.

UOW Authors


  •   Han, Sanga (external author)

Publication Date


  • 2015

Citation


  • Park, S., Lee, J., Kim, H. S., Park, J. B., Lee, K. H., Han, S. A., . . . Shin, H. J. (2015). Formation of hexagonal boron nitride by metal atomic vacancy-assisted b-n molecular diffusion. ACS Nano, 9(1), 633-638. doi:10.1021/nn505960b

Scopus Eid


  • 2-s2.0-84921820608

Start Page


  • 633

End Page


  • 638

Volume


  • 9

Issue


  • 1

Place Of Publication