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2014 Fiscal Year Final Research Report

Molecular Orbital Calculation of Oxygen Reduction Reaction in Complex Cluster

Research Project

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Project/Area Number 25630336
Research Category

Grant-in-Aid for Challenging Exploratory Research

Allocation TypeMulti-year Fund
Research Field Metal making/Resorce production engineering
Research InstitutionNagoya 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

URL: 

Published: 2016-09-02  

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