کد مقاله | کد نشریه | سال انتشار | مقاله انگلیسی | نسخه تمام متن |
---|---|---|---|---|
64639 | 48364 | 2016 | 8 صفحه PDF | دانلود رایگان |
• The non-noble-metal cobalt could be strongly stabilized by pyridinic N vacancy.
• The activated sites of Co-N3-gra are identified.
• The L-H mechanism is more preferable for CO oxidation than the E-R mechanism.
• The Co-N3-gra catalyst exhibits higher catalytic activity for CO oxidation than some other noble metal catalysts.
The low operating temperature, high efficiency and noble-metal-free are the goal of the ideal catalysts. In present study, an efficient noble-metal-free catalyst for CO oxidation with a single cobalt atom incorporated with pyridinic nitrogen graphene (Co-N3-gra) is proposed. The catalytic activity for CO oxidation via various mechanisms on the Co-N3-gra catalyst is investigated using the first-principles method. It is found that the CO oxidation occurs preferably following the Langmuir-Hinshelwood mechanism (CO + O2 → OOCO → CO2 + O) with an energy barrier of 0.86 eV for the rate-limiting step of OOCO formation. Our findings prove that the activity of noble-metal-free Co-N3-gra catalyst is comparable to or even higher than some other single noble-metal-graphene based catalysts.
CO oxidation catalyzed by the non-noble metal Cobalt coupled with pyridinic N3 graphene along the Langmuir-Hinshelwood mechanism.Figure optionsDownload high-quality image (271 K)Download as PowerPoint slide
Journal: Journal of Molecular Catalysis A: Chemical - Volume 417, June 2016, Pages 28–35