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<p>Boron-based materials have emerged as a leading catalyst family for the oxidative dehydrogenation of light alkanes. These materials operate <i>via</i> a mixed mechanism involving both surface reactions and gas-phase radical propagation steps. Despite high performance, selectivity to olefin products at industrially-relevant conversions continues to limit viability of these materials. In this perspective, we focus on understanding the contribution of the surface towards observed reactivity. Combining computational, reaction, and spectroscopic evidence we propose that the oxidized surface is primarily activating propane, rather than propylene. However, the stronger C–H abstracting species generated on the oxidized boron surface lead to the formation of both <i>i</i>- and <i>n</i>-propyl radicals with the latter ones reducing the propylene selectivity. Improving the selectivity and activity of the surface species is a promising route to drive these materials towards industrial viability.</p>

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Developing an Understanding of the Contribution of the Boron Nitride Surface to the Oxidative Dehydrogenation of Propane

  • 期刊论文

  • 发表日期：

    2025年3月3日

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  • Sudipta Ganguly,
  • Harsh Darji,
  • Unni Kurumbail,
  • Matias Alvear,
  • Ive Hermans

摘要

Boron-based materials have emerged as a leading catalyst family for the oxidative dehydrogenation of light alkanes. These materials operate via a mixed mechanism involving both surface reactions and gas-phase radical propagation steps. Despite high performance, selectivity to olefin products at industrially-relevant conversions continues to limit viability of these materials. In this perspective, we focus on understanding the contribution of the surface towards observed reactivity. Combining computational, reaction, and spectroscopic evidence we propose that the oxidized surface is primarily activating propane, rather than propylene. However, the stronger C–H abstracting species generated on the oxidized boron surface lead to the formation of both i- and n-propyl radicals with the latter ones reducing the propylene selectivity. Improving the selectivity and activity of the surface species is a promising route to drive these materials towards industrial viability.