Molecular Orbital Calculation of Oxygen Reduction Reaction in Complex Cluster

2014 Fiscal Year Final Research Report

• Project/Area Number: 25630336
• Research Category: Grant-in-Aid for Challenging Exploratory Research
• Allocation Type: Multi-year Fund
• Research Field: Metal making/Resorce production engineering
• Research Institution: Nagoya University
• Principal Investigator: UENO Tomonaga 名古屋大学, 工学(系)研究科(研究院), 助教 (20611156)
• Project Period (FY): 2013-04-01 – 2015-03-31
• Keywords: ナノクラスター / 触媒 / 酸素還元反応 / 分子軌道計算 / 第一原理計算

Outline of Final Research Achievements

A catalyst is necessary for the oxygen reduction reaction (ORR). Platinum-group metals are critical to catalyzing reactions, but they are rare metal. So, the non-platinum group metals are required for alternative catalyst. In this study, specific guideline based on electric theory was proposed by first principle calculation. Furthermore, we investigated the behaviors of metal alloy clusters.

Free Research Field

材料工学