Dehydrogenation of ammonia on free-standing and epitaxial hexagonal boron nitride

Abstract

We report a thermodynamically feasible mechanism for producing H2 from NH3 using hBN as a catalyst. 2D catalysts have exceptional surface areas with unique thermal and electronic properties suited for...

Reduction of NOx on metal-free hydrogenated hexagonal boron nitride

“…1. The structure and properties of V B and V N vacancies have been discussed in detail in previous work and are shown in b and c. 56 V N is more stable than V B with E f of 8.63 eV and 9.75 eV, respectively. V B has C 2v symmetry, whereas V N has D 3h symmetry due to Jahn-Teller distortion.…”

“…54,55 We have previously reported that HV B vacancies can be effectively produced by exposing boron-nitrogen divacancies to ammonia. 56 Furthermore, as hydrogen atoms are ordinarily contained in hBN precursors, HV B defects are likely to be generated during hBN processing, such as during the growth of hBN nanowalls. 57 Previous work by Nash et al 58 investigated HV B defects as active sites for the hydrogenation of alkenes on metal-free hBN.…”

The single metal atom (Ni, Pd, Pt) anchored on defective hexagonal boron nitride for oxidative desulfurization

“…For example, h-BN performs well for the adsorption of biomolecules flavonoids, and battery-active materials, 28,29 and it proves feasible thermodynamically to produce H 2 from NH 3 by using h-BN as the catalyst. 30 Additionally, the monovacancies, such as the vacancy of boron (V B ) and the vacancy of nitrogen (V N ), have been easily obtained in the h-BN monolayers or nanotube synthesis. [31][32][33][34] Confining the metal atom on such defects will have strong interactions which lead to stabilizing the SACs with enhanced catalytic activity.…”