文献类型：期刊文献

英文题名：Effect of the crystal plane figure on the catalytic performance of MnO2 for the total oxidation of propane

作者：Xie, Yujie[1];Yu, Yanyan[1];Gong, Xueqing[1];Guo, Yun[1];Guo, Yanglong[1];Wang, Yanqin[1];Lu, Guanzhong[1]

机构：[1]E China Univ Sci & Technol, Key Lab Adv Mat & Res, Inst Ind Catalysis, Shanghai 200237, Peoples R China

年份：2015

卷号：17

期号：15

起止页码：3005

外文期刊名：CRYSTENGCOMM

收录：;WOS:【SCI-EXPANDED(收录号:WOS:000352142800012)】；

基金：This project was supported financially by the National Basic Research Program of China (2010CB732300, 2013CB933201), NSFC (21273150, 21171055), Fundamental Research Funds for the Central Universities, and the National High Technology Research and Development Program of China (2011AA03A406).

语种：英文

摘要：Nanosized MnO2 particles with alpha-, beta-, gamma-, and delta-crystal phases were synthesized hydrothermally, and characterized by XRD, SEM, HR-TEM, low temperature N-2 adsorption, TPR, TPD, FT-IR and Raman spectroscopy. The density functional theory (DFT) method was used to calculate the adsorption of propane and O-2 on MnO2 catalysts. The effect of the crystal phases or crystal plane figure on the catalytic properties of MnO2 for the total oxidation of propane was evaluated. The results showed that alpha-, beta- and gamma-MnO2 exhibited a 1D structure, and delta-MnO2 was a 2D layered- structure material. For deep oxidation of propane, the catalytic activities of the MnO2 samples decreased in the order of alpha- approximate to gamma- > beta - > delta- MnO2. Compared with the other three MnO2 samples, alpha-MnO2 exhibited the highest catalytic activity and stability for propane oxidation, its T-10 and T-90 were 204 degrees C and 290 degrees C, respectively. For the different crystal phases of MnO2, there are distinct differences in the chemical bonds (Mn-O-Mn and Mn-O) and linking modes of [MnO6] octahedra, the adsorption energies of propane on the surface of MnO2 are varied in the order of (310) facet of alpha- > (120) of gamma- > (110) of beta- > (001) of delta-MnO2, and the presence of translational motion in delta- MnO2 along with its stronger deformation and stretching modes may lead to its better catalytic activity for propane oxidation.