具有相同形貌的CeO₂和Mn掺杂CeO₂的氧空位在苯催化氧化中的作用
Roles of Oxygen Vacancies of CeO and Mn-Doped CeO with the Same Morphology in Benzene Catalytic Oxidation.
作者信息
Yang Min, Shen Genli, Wang Qi, Deng Ke, Liu Mi, Chen Yunfa, Gong Yan, Wang Zhen
机构信息
School of Chemistry and Biological Engineering, University of Science and Technology, Beijing 100083, China.
CAS Key Laboratory of Standardization and Measurement for Nanotechnology, CAS Center for Excellence in Nanoscience, National Center for Nanoscience and Technology, Beijing 100190, China.
出版信息
Molecules. 2021 Oct 21;26(21):6363. doi: 10.3390/molecules26216363.
Mn-doped CeO and CeO with the same morphology (nanofiber and nanocube) have been synthesized through hydrothermal method. When applied to benzene oxidation, the catalytic performance of Mn-doped CeO is better than that of CeO, due to the difference of the concentration of O vacancy. Compared to CeO with the same morphology, more oxygen vacancies were generated on the surface of Mn-doped CeO, due to the replacement of Ce ion with Mn ion. The lattice replacement has been analyzed through XRD, Raman, electron energy loss spectroscopy and electron paramagnetic resonance technology. The formation energies of oxygen vacancy on the different exposed crystal planes such as (110) and (100) for Mn-doped CeO were calculated by the density functional theory (DFT). The results show that the oxygen vacancy is easier to be formed on the (110) plane. Other factors influencing catalytic behavior have also been investigated, indicating that the surface oxygen vacancy plays a crucial role in catalytic reaction.
通过水热法合成了具有相同形貌（纳米纤维和纳米立方体）的锰掺杂二氧化铈（Mn-doped CeO₂）和二氧化铈（CeO₂）。当应用于苯氧化时，由于氧空位浓度的差异，锰掺杂二氧化铈的催化性能优于二氧化铈。与具有相同形貌的二氧化铈相比，由于锰离子取代铈离子，锰掺杂二氧化铈表面产生了更多的氧空位。通过X射线衍射（XRD）、拉曼光谱、电子能量损失谱和电子顺磁共振技术对晶格取代进行了分析。利用密度泛函理论（DFT）计算了锰掺杂二氧化铈在不同暴露晶面（如(110)和(100)）上氧空位的形成能。结果表明，氧空位更容易在(110)面上形成。还研究了影响催化行为的其他因素，表明表面氧空位在催化反应中起关键作用。
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