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Hydroxyl groups attached to Co2+ on the surface of Co3O4: a promising structure for propane catalytic oxidation
Catalysis Science & Technology ( IF 5 ) Pub Date : 2020-03-06 , DOI: 10.1039/d0cy00265h Kun Chen 1, 2, 3, 4, 5 , Wenzhi Li 1, 2, 3, 4, 5 , Zean Zhou 1, 2, 3, 4, 5 , Qifu Huang 5, 6, 7 , Yang Liu 1, 2, 3, 4, 5 , Qiuyan Duan 1, 2, 3, 4, 5
Catalysis Science & Technology ( IF 5 ) Pub Date : 2020-03-06 , DOI: 10.1039/d0cy00265h Kun Chen 1, 2, 3, 4, 5 , Wenzhi Li 1, 2, 3, 4, 5 , Zean Zhou 1, 2, 3, 4, 5 , Qifu Huang 5, 6, 7 , Yang Liu 1, 2, 3, 4, 5 , Qiuyan Duan 1, 2, 3, 4, 5
Affiliation
Co3O4 catalysts with three specific morphologies (nanocubes, nanosheets, and nanooctahedra) were prepared using simple preparation methods and tested for catalytic combustion of propane under the same reaction conditions. Co3O4 nanosheets (Co3O4-S) with the highest Co2+ content presented the best catalytic activity among the three catalysts and achieved complete oxidation of propane at 210 °C compared with 320 °C for nanocubes and 400 °C for nanooctahedra in our work. It is confirmed by XPS characterization that there were a large number of surface hydroxyl groups on the surface of Co3O4-S, and they were more inclined to attach to Co2+ species, whereas the amount of hydroxyl groups on the surface of the other two catalysts (nanocubes and nanooctahedra) was negligible. DFT calculations indicate that the bond energy between a hydroxyl group and surface Co2+ is higher than that between a hydroxyl group and surface Co3+, which proves that hydroxyl groups are more likely to be attached to Co2+ on the surface of Co3O4-S. The hydroxyl groups on the surface of Co3O4-S altered the intermediates and the reaction pathway in the process of propane oxidation, which greatly enhanced the catalytic activity of Co3O4-S. This research can open up a facile and reliable strategy for the design and construction of efficient propane oxidation catalysts by modifying the functional groups on the surface of the catalysts.
中文翻译:
附着在Co3O4表面Co2 +上的羟基:丙烷催化氧化的有前途的结构
使用简单的制备方法制备具有三种特定形态(纳米级,纳米片和纳米八面体)的Co 3 O 4催化剂,并在相同的反应条件下测试丙烷的催化燃烧。具有最高Co 2+含量的Co 3 O 4纳米片(Co 3 O 4 -S)表现出三种催化剂中最好的催化活性,并在210°C时实现丙烷的完全氧化,而纳米立方体和320°C则为320°C在我们的工作中使用纳米八面体。通过XPS表征证实,Co 3 O 4表面上存在大量的表面羟基。-S,它们更倾向于附着在Co 2+上,而其他两种催化剂(纳米立方和纳米八面体)表面的羟基量则可以忽略不计。DFT计算表明,羟基与表面Co 2+之间的结合能高于羟基与表面Co 3+之间的结合能,这证明羟基更可能附着在Co表面上的Co 2+上。3 O 4 -S。Co 3 O 4 -S表面的羟基改变了丙烷氧化过程中的中间体和反应途径,大大提高了Co 3的催化活性。O 4 -S。通过修饰催化剂表面的官能团,本研究可以为高效丙烷氧化催化剂的设计和构建提供一种简便而可靠的策略。
更新日期:2020-03-06
中文翻译:
附着在Co3O4表面Co2 +上的羟基:丙烷催化氧化的有前途的结构
使用简单的制备方法制备具有三种特定形态(纳米级,纳米片和纳米八面体)的Co 3 O 4催化剂,并在相同的反应条件下测试丙烷的催化燃烧。具有最高Co 2+含量的Co 3 O 4纳米片(Co 3 O 4 -S)表现出三种催化剂中最好的催化活性,并在210°C时实现丙烷的完全氧化,而纳米立方体和320°C则为320°C在我们的工作中使用纳米八面体。通过XPS表征证实,Co 3 O 4表面上存在大量的表面羟基。-S,它们更倾向于附着在Co 2+上,而其他两种催化剂(纳米立方和纳米八面体)表面的羟基量则可以忽略不计。DFT计算表明,羟基与表面Co 2+之间的结合能高于羟基与表面Co 3+之间的结合能,这证明羟基更可能附着在Co表面上的Co 2+上。3 O 4 -S。Co 3 O 4 -S表面的羟基改变了丙烷氧化过程中的中间体和反应途径,大大提高了Co 3的催化活性。O 4 -S。通过修饰催化剂表面的官能团,本研究可以为高效丙烷氧化催化剂的设计和构建提供一种简便而可靠的策略。