Revealing the role of HBr in propane dehydrogenation on CeO 2 (111) via DFT-based microkinetic simulation

HBr, as a soft oxidant, has been demonstrated to have a good balance between stability and selectivity in catalytic propane dehydrogenation. However, the origin of enhancements induced by HBr (hydrobromic acid) remains elusive. In this study, DFT-based microkinetic simulations were performed to reve...

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Veröffentlicht in:	Physical chemistry chemical physics : PCCP 2022-04, Vol.24 (16), p.9718-9726
Hauptverfasser:	Jan, Faheem, Lian, Zan, Zhi, Shuaike, Yang, Min, Si, Chaowei, Li, Bo
Format:	Artikel
Sprache:	eng
Online-Zugang:	Volltext
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