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

• DOI: 10.1143/jpsj.80.064801
• Publication Date: 2011-06-03T08:06:20Z
• Authors: Kazuki Nozawa; Naruki Endo; Satoshi Kameoka; An Pang Tsai; Yasushi Ishii
• Keywords: 02 engineering and technology; 0210 nano-technology

The catalytic functions of Pd are completely modified by alloying with Zn, and PdZn exhibits comparable selectivity to Cu in the steam reforming methanol (SRM). We perform theoretical experimental studies confirm our previous argument that position d -band is a significant factor determining properties. First-principles slab calculations for M –Zn ( = Pd, Ni, Pt) reveal bond breaking on surface leads some reduction -bandwidth, but stable surfaces remains essentially unchanged from bulk. origin dramatic change electronic structure caused theoretically demonstrated. Our experimentally examined not only SRM, also elemental reactions such as CO H 2 adsorptions. Magnetic measurements indicate importance SRM.