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Mn掺杂CeO2和CeO2。当应用于苯氧化时,由于O空位浓度的不同,Mn掺杂CeO2的催化性能优于CeO2。与形貌相同的CeO2相比,由于Ce离子被Mn离子取代,在Mn掺杂的CeO2表面产生了更多的氧空位。通过XRD对晶格置换进行了分析,拉曼,电子能量损失谱和电子顺磁共振技术。通过密度泛函理论(DFT)计算了Mn掺杂的CeO2在不同暴露的晶面(例如(110)和(100)上的氧空位的形成能。结果表明,氧空位更容易在(110)平面上形成。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着至关重要的作用。
Mn-doped CeO2 and CeO2 with the same morphology (nanofiber and nanocube) have been synthesized through hydrothermal method. When applied to benzene oxidation, the catalytic performance of Mn-doped CeO2 is better than that of CeO2, due to the difference of the concentration of O vacancy. Compared to CeO2 with the same morphology, more oxygen vacancies were generated on the surface of Mn-doped CeO2, 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 CeO2 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.