Catalytic Properties Dominated by Electronic Structures in PdZn, NiZn, and PtZn Intermetallic Compounds

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概要

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• The catalytic functions of Pd are completely modified by alloying with Zn, and PdZn exhibits comparable catalytic selectivity to Cu in the steam reforming of methanol (SRM). We perform theoretical and experimental studies to confirm our previous argument that the position of the d-band is a significant factor determining catalytic properties. First-principles slab calculations for M--Zn (M = \text{Pd}, Ni, Pt) reveal that the bond breaking on the surface leads to some reduction in the d-bandwidth, but that the position of the d-band for stable surfaces remains essentially unchanged from that of the bulk. The origin of the dramatic change in the electronic structure caused by alloying is theoretically demonstrated. Our previous argument is experimentally examined not only in SRM, but also in elemental reactions such as CO and H2 adsorptions. Magnetic measurements also indicate the importance of the d-band position in SRM.

• 2011-06-15

著者

• Kameoka Satoshi

  Institute Of Materials Science University Of Tsukuba

• Tsai An

  Institute For Materials Research Tohoku University

• Ishii Yasushi

  Department Of Applied Physics Faculty Of Engineering The University Of Tokyo

• Endo Naruki

  Department Of Materials Processing Graduate School Of Engineering Tohoku University

• Endo Naruki

  Department of Materials Processing, Graduate School of Engineering, Tohoku University, Sendai 980-8579, Japan

• Nozawa Kazuki

  Graduate School of Material Science, University of Hyogo, Kamigori, Hyogo 678-1297, Japan

• Kameoka Satoshi

  Institute of Multidisciplinary Research for Advanced Materials, Tohoku University, Sendai 980-8577, Japan

• Tsai An

  Institute of Multidisciplinary Research for Advanced Materials, Tohoku University, Sendai 980-8577, Japan

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