High CO2 Selectivity of ZnO Powder Catalysts for Methanol Steam Reforming

作者：Halevi, Barr; Lin, Sen; Roy, Aaron; Zhang, He; Jeroro, Ese; Vohs, John; Wang, Yong; Guo, Hua; Datye, Abhaya K.^*

来源：Journal of Physical Chemistry C, 2013, 117(13): 6493-6503.

DOI：10.1021/jp308976u

• TOTAL-ENERGY CALCULATIONS
• METHYL FORMATE PATHWAY
• WATER-ADSORPTION
• 0001 SURFACES
• FORMIC-ACID
• ZINC-OXIDE
• DECOMPOSITION
• MORPHOLOGY
• CU(111)
• ZNO(10(1)OVER-BAR0)

To investigate the contribution of the ZnO supports in PdZn/ZnO catalysts used for methanol steam reforming (MSR), we have investigated methanol steam reforming on two different ZnO powder samples. The powder samples included a commercial powder with both polar and nonpolar surfaces exposed, and a plate-like sample preferentially exposing the polar ZnO(001)/ (00 (1) over bar) surfaces. ZnO was found to be active and selective for MSR, with the polar surfaces being most active, but the activation energy for reaction (similar to 100 kJ/mol) was much larger than on unsupported PdZn(similar to 50 kJ/mol) or PdZn/ZnO. The experimental findings are supported by DFT calculations on key elementary steps and reaction intermediates on the ZnO(001) surface. We conclude that the contribution of the ZnO support to the MSR activity PdZn/ZnO catalyst system may not be very significant.

• 出版日期2013-4-4
• 单位福州大学