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First-principles design and screening of photoabsorber materials for next generation photovoltaics

Research Project

Project/Area Number 26630316
Research Category

Grant-in-Aid for Challenging Exploratory Research

Allocation TypeMulti-year Fund
Research Field Inorganic materials/Physical properties
Research InstitutionTokyo Institute of Technology (2015)
Kyoto University (2014)

Principal Investigator

Oba Fumiyasu  東京工業大学, 応用セラミックス研究所, 教授 (90378795)

Co-Investigator(Renkei-kenkyūsha) HINUMA YOYO  京都大学, 工学研究科, 特定助教 (80648238)
Project Period (FY) 2014-04-01 – 2016-03-31
Project Status Completed (Fiscal Year 2015)
Budget Amount *help
¥3,900,000 (Direct Cost: ¥3,000,000、Indirect Cost: ¥900,000)
Fiscal Year 2015: ¥1,690,000 (Direct Cost: ¥1,300,000、Indirect Cost: ¥390,000)
Fiscal Year 2014: ¥2,210,000 (Direct Cost: ¥1,700,000、Indirect Cost: ¥510,000)
Keywords第一原理計算 / 太陽電池材料 / 電子構造
Outline of Final Research Achievements

Intermediate-band solar cells are attractive because of their high theoretical energy conversion efficiencies. The photoabsorber material is the key to the technology but it has not been well optimized. In the present study, photoabsorber materials for intermediate-band solar cells were searched via first-principles calculations. The materials proposed include not only transition-metal doped binary semiconductors but also ternary semiconductors without dopants.

Report

(3 results)
  • 2015 Annual Research Report   Final Research Report ( PDF )
  • 2014 Research-status Report
  • Research Products

    (8 results)

All 2016 2015 2014 Other

All Int'l Joint Research (1 results) Journal Article (5 results) (of which Int'l Joint Research: 1 results,  Peer Reviewed: 5 results,  Open Access: 3 results,  Acknowledgement Compliant: 4 results) Presentation (2 results) (of which Int'l Joint Research: 1 results,  Invited: 2 results)

  • [Int'l Joint Research] University of Bath(英国)

    • Related Report
      2015 Annual Research Report
  • [Journal Article] Screening procedure for structurally and electronically matched contact layers for high-performance solar cells: hybrid perovskites2016

    • Author(s)
      Keith T. Butler, Yu Kumagai, Fumiyasu Oba, and Aron Walsh
    • Journal Title

      J. Mater. Chem. C

      Volume: 4 Issue: 6 Pages: 1149-1158

    • DOI

      10.1039/c5tc04091d

    • Related Report
      2015 Annual Research Report
    • Peer Reviewed / Open Access / Int'l Joint Research / Acknowledgement Compliant
  • [Journal Article] Predictions of point defect, surface, and interface properties in semiconductors using first-principles calculations2016

    • Author(s)
      Fumiyasu Oba
    • Journal Title

      AIP Conf. Proc.

      Volume: -

    • Related Report
      2015 Annual Research Report
    • Peer Reviewed
  • [Journal Article] 半導体の基礎物性・格子欠陥特性の高精度理論予測と物質・材料探索への展開2015

    • Author(s)
      大場史康, 日沼洋陽, 熊谷 悠
    • Journal Title

      セラミックス

      Volume: 50 Pages: 542-545

    • Related Report
      2015 Annual Research Report
    • Peer Reviewed / Acknowledgement Compliant
  • [Journal Article] Band alignment of semiconductors from density-functional theory and many-body perturbation theory2014

    • Author(s)
      Y. Hinuma, A. Gruneis, G. Kresse, and F. Oba
    • Journal Title

      Phys. Rev. B

      Volume: 90 Issue: 15

    • DOI

      10.1103/physrevb.90.155405

    • NAID

      120005511088

    • Related Report
      2014 Research-status Report
    • Peer Reviewed / Open Access / Acknowledgement Compliant
  • [Journal Article] First-principles study of point defects in chalcopyrite ZnSnP22014

    • Author(s)
      Y. Kumagai, M. Choi, Y. Nose, and F. Oba
    • Journal Title

      Phys. Rev. B

      Volume: 90 Issue: 12

    • DOI

      10.1103/physrevb.90.125202

    • NAID

      120006582352

    • Related Report
      2014 Research-status Report
    • Peer Reviewed / Open Access / Acknowledgement Compliant
  • [Presentation] 半導体の物性予測と物質探索 - 先端計算科学からのアプローチ2016

    • Author(s)
      大場史康
    • Organizer
      第63回応用物理学会春季学術講演会
    • Place of Presentation
      東京都
    • Year and Date
      2016-03-20
    • Related Report
      2015 Annual Research Report
    • Invited
  • [Presentation] Accurate predictions of defect properties in semiconductors: Towards understanding and screening of materials2015

    • Author(s)
      Fumiyasu Oba
    • Organizer
      2nd International Symposium on Frontiers in Materials Science
    • Place of Presentation
      Tokyo
    • Year and Date
      2015-11-20
    • Related Report
      2015 Annual Research Report
    • Int'l Joint Research / Invited

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Published: 2014-04-04   Modified: 2017-05-10  

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