総合研究棟写真

2015年度 物理工学教育プログラム:ニュース

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H27年度 物理工学EP 談話会開催について2015/12/04

日時:12月15日(火)9:45~10:30
場所:総合研究棟W 2階 W202

○ Dr. Abhishek Kumar Singh
   Assistant Professor, Materials Research Centre, Indian Institute of Science, Bangalore, India

演題: Bimetallic Catalyst: A solution to Pt-Poisoning-Free CO Oxidation

概要:  Late-transition-metal-doped Pt clusters are prevalent in CO oxidation catalysts, as they exhibit better catalytic activity than pure Pt, while reducing the effective cost and poisoning. However, completely eliminating the critical problem of Pt poisoning still poses a big challenge. Here we report for the first time that, among the bimetallic clusters ((Pt3M where M = Co, Ni, and Cu)/MgO(100)), the CO adsorption site inverts for Pt3Co/ MgO(100) from Pt to Co, due to the complete uptake of Pt d-states by lattice oxygen. While this resolves the problem of Pt poisoning, good reaction kinetics are predicted through low barriers for Lanmuir-Hinshelwood and Mars van Krevelen (MvK) mechanisms of CO oxidation for Pt3Co/MgO(100) and Li-doped MgO(100), respectively. Li doping in MgO(100) compensates for the charge imbalance caused by a spontaneous oxygen vacancy formation. Pt3Co/Li-doped MgO(100) stands out as an exceptional CO oxidation catalyst, giving an MvK reaction barrier as low as 0.11 eV. We thereby propose a novel design strategy of d-band center inversion for CO oxidation catalysts with no Pt poisoning and excellent reaction kinetics.

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