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熱電材料の理論的研究

Research Project

Project/Area Number 13F03751
Research Category

Grant-in-Aid for JSPS Fellows

Allocation TypeSingle-year Grants
Section外国
Research Field Applied optics/Quantum optical engineering
Research InstitutionOsaka University

Principal Investigator

吉田 博  大阪大学, 基礎工学研究科, 教授 (30133929)

Co-Investigator(Kenkyū-buntansha) AL ASSADI MOHAMMAD  大阪大学, 基礎工学研究科, 外国人特別研究員
AL ASSADI Mohammad  大阪大学, 基礎工学研究科, 外国人特別研究員
MOHAMAND HUSSEIN NASEF Al Assadi  大阪大学, 基礎工学研究科, 外国人特別研究員
Project Period (FY) 2013-04-01 – 2016-03-31
Project Status Completed (Fiscal Year 2015)
Budget Amount *help
¥2,300,000 (Direct Cost: ¥2,300,000)
Fiscal Year 2015: ¥800,000 (Direct Cost: ¥800,000)
Fiscal Year 2014: ¥1,100,000 (Direct Cost: ¥1,100,000)
Fiscal Year 2013: ¥400,000 (Direct Cost: ¥400,000)
KeywordsDensity Functional / Thermoelectrics / Phonon modes
Outline of Annual Research Achievements

I joint Osaka University on 25th of November 2013. During the two years of my research, I focused on studying the thermoelectric properties of sodium cobaltate doped with various dopants and defects. The objective of the research is to establish the upper limit of thermoelectric performance by using doping technology in bulk systems. This research was conducted using VASP ab initio package on Kyushu University supercomputer.
The applied research methodology included density functional based defect/dopant formation energy calculations to reveal the favorite doping concentration, lattice site, charge state for any given dopants which is known as energetics calculations. The generated insight has determined the maximum possible thermoelectric performance. Since obtaining full experimental understanding of thermal conductivity for different phonon modes are increasingly difficult, we anticipate the generated computational results will guide the future experimental efforts.

Research Progress Status

27年度が最終年度であるため、記入しない。

Strategy for Future Research Activity

27年度が最終年度であるため、記入しない。

Report

(3 results)
  • 2015 Annual Research Report
  • 2014 Annual Research Report
  • 2013 Annual Research Report
  • Research Products

    (14 results)

All 2015 2014

All Journal Article (7 results) (of which Peer Reviewed: 7 results,  Open Access: 4 results,  Acknowledgement Compliant: 3 results) Presentation (7 results) (of which Int'l Joint Research: 2 results,  Invited: 1 results)

  • [Journal Article] Restoration of long range order of Na ions in NaxCoO2 at high temperatures by sodium site doping2015

    • Author(s)
      M H N Assadi, H Katayama-Yoshida
    • Journal Title

      Computational Materials Science

      Volume: 109 Pages: 308-311

    • DOI

      10.1016/j.commatsci.2015.07.043

    • Related Report
      2015 Annual Research Report
    • Peer Reviewed / Open Access / Acknowledgement Compliant
  • [Journal Article] Dopant Incorporation Site in Sodium Cobaltate’s Complex Structure: A Critical Factor in Thermoelectric Performance2015

    • Author(s)
      Assadi, Katayama-Yoshida
    • Journal Title

      Journal of Physic: Condensed Matter

      Volume: 27 Issue: 17 Pages: 175-504

    • DOI

      10.1088/0953-8984/27/17/175504

    • Related Report
      2015 Annual Research Report 2014 Annual Research Report
    • Peer Reviewed / Open Access
  • [Journal Article] Interplay between magnetism and Na concentration in NaxCoO22015

    • Author(s)
      M H N Assadi, H Katayama-Yoshida
    • Journal Title

      Functional Materials Letters

      Volume: 8 Issue: 03 Pages: 1540016-1540020

    • DOI

      10.1142/s1793604715400160

    • Related Report
      2015 Annual Research Report 2014 Annual Research Report
    • Peer Reviewed / Open Access / Acknowledgement Compliant
  • [Journal Article] Sodium Cobaltate Engineered with Alkaline Earth Metal Doping for Waste Energy Harvesting; a Theoretical Study2015

    • Author(s)
      M H N Assadi, H Katayama-Yoshida
    • Journal Title

      Energy Procedia

      Volume: 75 Pages: 3259-3264

    • DOI

      10.1016/j.egypro.2015.07.697

    • Related Report
      2015 Annual Research Report
    • Peer Reviewed / Open Access / Acknowledgement Compliant
  • [Journal Article] Sodium cobaltate engineered with alkaline earth metal doping for waste energy harvesting; a theoretical study2015

    • Author(s)
      Assadi, Katayama-Yoshida
    • Journal Title

      Energy Procedia

      Volume: *

    • Related Report
      2014 Annual Research Report
    • Peer Reviewed
  • [Journal Article] Critical role of Fock exchange in characterizing dopant geometry and magnetic interaction in magnetic semiconductors2014

    • Author(s)
      Pham, Assadi, Yu, Li
    • Journal Title

      Physical Review B

      Volume: 89 Issue: 15

    • DOI

      10.1103/physrevb.89.155110

    • Related Report
      2013 Annual Research Report
    • Peer Reviewed
  • [Journal Article] Recycling End-of-Life Polycarbonate in steelmaking : Ab Initio Study of Carbon Dissolution in Molten Iron2014

    • Author(s)
      Assadi, Sahajwalla
    • Journal Title

      Industrial and Engineering Chemistry Research

      Volume: 53 Issue: 10 Pages: 3861-3865

    • DOI

      10.1021/ie4031105

    • Related Report
      2013 Annual Research Report
    • Peer Reviewed
  • [Presentation] Theoretical Survey of Doped Thermoelectric NaxCoO22015

    • Author(s)
      M H N Assadi
    • Organizer
      IUMRS-2015
    • Place of Presentation
      Jeju Island, South Korea
    • Year and Date
      2015-10-25
    • Related Report
      2015 Annual Research Report
    • Int'l Joint Research
  • [Presentation] Comparative study of the formation energies of Sb, Cu dopants in sodium cobaltate, sensitivity to the treatment of electronic correlation2015

    • Author(s)
      M H N Assadi
    • Organizer
      Psi-k 2015 Meeting
    • Place of Presentation
      San Sebastian, Spain
    • Year and Date
      2015-09-06
    • Related Report
      2015 Annual Research Report
    • Int'l Joint Research
  • [Presentation] Sodium cobaltate engineered with alkaline earth metal doping for waste energy harvesting; a theoretical study2015

    • Author(s)
      Assadi, Katayama-Yoshida
    • Organizer
      7th International Conference on Applied Energy
    • Place of Presentation
      Abu Dhabi, UAE
    • Year and Date
      2015-03-28 – 2015-03-31
    • Related Report
      2014 Annual Research Report
  • [Presentation] Theoretical survey of doped sodium cobaltate and strategies for enhancing the thermoelectric performance2015

    • Author(s)
      Assadi, Katayama-Yoshida
    • Organizer
      APS March Meeting
    • Place of Presentation
      San Antonio, Texas, USA
    • Year and Date
      2015-03-02 – 2015-03-06
    • Related Report
      2014 Annual Research Report
  • [Presentation] Strong correlation effects in thermoelectric Na0.5CoO2: a case study of non-magnetic dopant2014

    • Author(s)
      Assadi, Katayama-Yoshida
    • Organizer
      19th Conference on Physics and Applications of Spin-related Phenomena in Semiconductors
    • Place of Presentation
      Tokyo, Japan
    • Year and Date
      2014-12-15 – 2014-12-16
    • Related Report
      2014 Annual Research Report
  • [Presentation] Ab Initio Insight of Spin Entropy in Thermoelectric NaxCoO22014

    • Author(s)
      Assadi, Katayama-Yoshida
    • Organizer
      The meeting of International Union of Materials Research Societies (IUMRS-ICA)
    • Place of Presentation
      Fukuoka, Japan
    • Year and Date
      2014-08-24 – 2014-08-30
    • Related Report
      2014 Annual Research Report
  • [Presentation] Search for optimized thermoelectric systems based on sodium cobaltate: Theoretical study2014

    • Author(s)
      Assadi, Katayama-Yoshida
    • Organizer
      The 8th International Conference on Advanced Materials Processing (ICAMP‐8)
    • Place of Presentation
      Gold Coast, Australia
    • Year and Date
      2014-07-27 – 2014-07-30
    • Related Report
      2014 Annual Research Report
    • Invited

URL: 

Published: 2014-01-29   Modified: 2024-03-26  

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