• Media type: E-Article
  • Title: A DFT study of boron nitride-confined nickel single atoms for the oxidation of methane to methanol
  • Contributor: Wang, Sanmei; Yu, Bo; Wang, Liangbing
  • Published: Royal Society of Chemistry (RSC), 2022
  • Published in: Physical Chemistry Chemical Physics, 24 (2022) 36, Seite 21886-21891
  • Language: English
  • DOI: 10.1039/d2cp03671a
  • ISSN: 1463-9076; 1463-9084
  • Origination:
  • University thesis:
  • Footnote:
  • Description: <jats:p>Direct oxidation of methane to methanol (DMTM) remains an economically tantalizing but fundamentally challenging goal because of the highly stable C–H bonds. Embedding Ni into O-doped BN <jats:italic>via</jats:italic> two N atoms and one O atom coordination (Ni<jats:sub>1</jats:sub>/O<jats:sub>1</jats:sub>N<jats:sub>2</jats:sub>-BN) was an efficient option for DMTM.</jats:p>