• Search Research Projects
  • Search Researchers
  • How to Use
  1. Back to previous page

Molecular Orbital Calculation of Oxygen Reduction Reaction in Complex Cluster

Research Project

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
Project Status Completed (Fiscal Year 2014)
Budget Amount *help
¥4,030,000 (Direct Cost: ¥3,100,000、Indirect Cost: ¥930,000)
Fiscal Year 2014: ¥910,000 (Direct Cost: ¥700,000、Indirect Cost: ¥210,000)
Fiscal Year 2013: ¥3,120,000 (Direct Cost: ¥2,400,000、Indirect Cost: ¥720,000)
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 / クラスター / 非対称性 / 白金
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.

Report

(3 results)
  • 2014 Annual Research Report   Final Research Report ( PDF )
  • 2013 Research-status Report
  • Research Products

    (10 results)

All 2015 2014 2013

All Presentation (10 results)

  • [Presentation] A Computational Investigation of Metal Nanocluster Structure and Electronic Property2015

    • Author(s)
      T. Morishita, T. Ueno, N. Saito
    • Organizer
      ISPlasma2015/IC-PLANTS2015
    • Place of Presentation
      Nagoya University
    • Year and Date
      2015-03-27
    • Related Report
      2014 Annual Research Report
  • [Presentation] Electronic States Analysis of Metal Nanocluster for Oxygen Reduction Catalyst in Fuel Cells2014

    • Author(s)
      T. Morishita, T. Ueno, N. Saito
    • Organizer
      5th International Symposium on Advanced Materials Development and Integration of Novel Structured Metallic and Inorganic Materials (AMDI-5)
    • Place of Presentation
      Tokyo Medical and Dental University
    • Year and Date
      2014-11-19
    • Related Report
      2014 Annual Research Report
  • [Presentation] Oxygen Reduction Mechanism Analysis by DFT Calculation2014

    • Author(s)
      T. Morishita, T. Ueno, N. Saito
    • Organizer
      Second International Conference of Young Researchers on Advanced Materials (IUMRS-ICYRAM2014)
    • Place of Presentation
      Hainan, Chaina
    • Year and Date
      2014-10-25
    • Related Report
      2014 Annual Research Report
  • [Presentation] 密度汎関数法による金属ナノクラスター表面上酸素還元反応機構の解析2014

    • Author(s)
      森下哲典、上野智永、齋藤永宏
    • Organizer
      第155回秋期金属学会
    • Place of Presentation
      名古屋大学
    • Year and Date
      2014-09-22
    • Related Report
      2014 Annual Research Report
  • [Presentation] A DFT Calculation of Oxygen Behavior on Metal Nanocluster2014

    • Author(s)
      T. Morishita, T. Ueno, N. Saito
    • Organizer
      The IUMRS International Conference in Asia 2014
    • Place of Presentation
      Fukuoka University
    • Year and Date
      2014-08-29
    • Related Report
      2014 Annual Research Report
  • [Presentation] 密度汎関数法による金属ナノクラスター表面上酸素還元反応機構の解析2013

    • Author(s)
      森下哲典, 上野智永, 齋藤永宏
    • Organizer
      第128回表面技術協会
    • Place of Presentation
      福岡工業大学
    • Related Report
      2013 Research-status Report
  • [Presentation] A DFT study on Mechanism of Oxygen Reduction Reaction on Metal Nanoclster2013

    • Author(s)
      T. Morishita, T. Ueno, N. Saito
    • Organizer
      1st International Conference on Surface Engineering (ICSE2013)
    • Place of Presentation
      Busan
    • Related Report
      2013 Research-status Report
  • [Presentation] First principle calculation of oxygen reduction reaction on metal nanoclusters2013

    • Author(s)
      T. Morishita, T. Ueno, N. Saito
    • Organizer
      2013 MRS Spring Meeting & Exibits
    • Place of Presentation
      San Francisco
    • Related Report
      2013 Research-status Report
  • [Presentation] 紫外光電子分光法による金属ナノ粒子の電子状態とその粒径依存性2013

    • Author(s)
      水下昌樹,上野智永,齋藤永宏
    • Organizer
      第128回表面技術協会
    • Place of Presentation
      福岡工業大学
    • Related Report
      2013 Research-status Report
  • [Presentation] UPSによる酸素還元活性を示す金属ナノ粒子の表面電子状態解析2013

    • Author(s)
      水下昌樹,上野智永,齋藤永宏
    • Organizer
      平成25年度表面技術若手研究者・技術者研究交流発表会
    • Place of Presentation
      名古屋市工業研究所
    • Related Report
      2013 Research-status Report

URL: 

Published: 2014-07-25   Modified: 2019-07-29  

Information User Guide FAQ News Terms of Use Attribution of KAKENHI

Powered by NII kakenhi