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Carrier transport and Photoenergy conversion at nano-interfaces

Research Project

Project/Area Number 15H03764
Research Category

Grant-in-Aid for Scientific Research (B)

Allocation TypeSingle-year Grants
Section一般
Research Field Physical chemistry
Research InstitutionThe University of Tokyo

Principal Investigator

Yamashita Koichi  東京大学, 大学院工学系研究科(工学部), 教授 (40175659)

Project Period (FY) 2015-04-01 – 2018-03-31
Project Status Completed (Fiscal Year 2017)
Budget Amount *help
¥16,510,000 (Direct Cost: ¥12,700,000、Indirect Cost: ¥3,810,000)
Fiscal Year 2017: ¥5,330,000 (Direct Cost: ¥4,100,000、Indirect Cost: ¥1,230,000)
Fiscal Year 2016: ¥5,330,000 (Direct Cost: ¥4,100,000、Indirect Cost: ¥1,230,000)
Fiscal Year 2015: ¥5,850,000 (Direct Cost: ¥4,500,000、Indirect Cost: ¥1,350,000)
Keywords光エネルギー変換 / 有機薄膜太陽電池 / 水分解光触媒 / ナノ界面キャリア輸送 / 可視光応答型の水分解光触媒 / 第一原理計算 / バンド端位置 / 組成依存性 / バンド構造 / キャリア拡散 / キャリア有効質量 / 表面・界面物性 / 光物性 / 再生可能エネルギー / 太陽光発電 / ナノ材料 / ペロブスカイト型酸窒化物 / バンド内熱緩和 / 水分解光触媒反応 / キャリア緩和時間 / アニオン原子配列 / 密度汎関数多体摂動論 / 非平衡グリーン関数法 / エキシトン・ダイナミクス / 光触媒反応活性 / 光電変換効率 / 電荷再結合 / モルフォロジー
Outline of Final Research Achievements

In order to make effective use of solar energy, the key technology of solar energy conversion is studied theoretically from the viewpoint of "carrier transport at the nano-interface". Specifically, organic thin film solar cells and water splitting photocatalysts are taken up as solar energy conversion technologies, and the control and optimization of nano-interface carrier transport required for each technology are studied based on theoretical and computational chemistry approach. The electronic factors on carrier recombination rates in organic thin film solar cells, carrier relaxation and carrier diffusion of water splitting photocatalysts are clarified.

Report

(4 results)
  • 2017 Annual Research Report   Final Research Report ( PDF )
  • 2016 Annual Research Report
  • 2015 Annual Research Report
  • Research Products

    (31 results)

All 2017 2016 2015 Other

All Journal Article (15 results) (of which Int'l Joint Research: 11 results,  Peer Reviewed: 15 results,  Acknowledgement Compliant: 8 results) Presentation (15 results) (of which Int'l Joint Research: 15 results,  Invited: 12 results) Remarks (1 results)

  • [Journal Article] Anion Ordering in CaTaO2N: Structural Impact on the Photocatalytic Activity. Insights from First-Principles2017

    • Author(s)
      Kubo Ayako、Giorgi Giacomo、Yamashita Koichi
    • Journal Title

      Chemistry of Materials

      Volume: 29 Issue: 2 Pages: 539-545

    • DOI

      10.1021/acs.chemmater.6b03366

    • Related Report
      2017 Annual Research Report
    • Peer Reviewed / Int'l Joint Research
  • [Journal Article] Charge Carrier Trapping at Surface Defects of Perovskite Solar Cell Absorbers: A First-Principles Study2017

    • Author(s)
      Uratani Hiroki、Yamashita Koichi
    • Journal Title

      The Journal of Physical Chemistry Letters

      Volume: 8 Issue: 4 Pages: 742-746

    • DOI

      10.1021/acs.jpclett.7b00055

    • Related Report
      2017 Annual Research Report
    • Peer Reviewed
  • [Journal Article] Defects in crystalline PVDF: a density functional theory-density functional tight binding study2017

    • Author(s)
      Arabnejad Saeid、Yamashita Koichi、Manzhos Sergei
    • Journal Title

      Phys. Chem. Chem. Phys.

      Volume: 19 Issue: 11 Pages: 7560-7567

    • DOI

      10.1039/c7cp00510e

    • Related Report
      2017 Annual Research Report
    • Peer Reviewed / Int'l Joint Research
  • [Journal Article] Development of a Classical Interatomic Potential for MAPbBr32017

    • Author(s)
      Tomoyuki Hata, Giacomo Giorgi, Koichi Yamashita, Claudia Caddeo, Alessandro Mattoni
    • Journal Title

      The Journal of Physical Chemistry C

      Volume: 121 Issue: 7 Pages: 3724-3733

    • DOI

      10.1021/acs.jpcc.6b11298

    • Related Report
      2017 Annual Research Report
    • Peer Reviewed / Int'l Joint Research / Acknowledgement Compliant
  • [Journal Article] Role of Quantum-Confinement in Anatase Nanosheets2017

    • Author(s)
      Varsano Daniele、Giorgi Giacomo、Yamashita Koichi、Palummo Maurizia
    • Journal Title

      The Journal of Physical Chemistry Letters

      Volume: 8 Issue: 16 Pages: 3867-3873

    • DOI

      10.1021/acs.jpclett.7b01717

    • Related Report
      2017 Annual Research Report
    • Peer Reviewed / Int'l Joint Research
  • [Journal Article] Zero-Dimensional Hybrid Organic?Inorganic Halide Perovskite Modeling: Insights from First Principles2016

    • Author(s)
      Giorgi Giacomo、Yamashita Koichi
    • Journal Title

      The Journal of Physical Chemistry Letters

      Volume: 7 Issue: 5 Pages: 888-899

    • DOI

      10.1021/acs.jpclett.6b00122

    • Related Report
      2016 Annual Research Report
    • Peer Reviewed / Int'l Joint Research
  • [Journal Article] Photon-absorbing charge-bridging states in organic bulk heterojunctions consisting of diketopyrrolopyrrole derivatives and PCBM2016

    • Author(s)
      Mikiya Fujii, Woong Shin, Takuma Yasuda, and Koichi Yamashita
    • Journal Title

      Physical Chemistry Chemical Physics

      Volume: 18 Issue: 14 Pages: 9514-9523

    • DOI

      10.1039/c5cp06183k

    • Related Report
      2016 Annual Research Report
    • Peer Reviewed / Int'l Joint Research / Acknowledgement Compliant
  • [Journal Article] Dipole Analyses for Short-Circuit Current in Organic Photovoltaic Devices of Diketopyrrolopyrrole-Based Donor and PCBM2016

    • Author(s)
      Shohei Koda, Mikiya Fujii, Shintaro Hatamiya, Koichi Yamashita
    • Journal Title

      Theoretical Chemistry Accounts

      Volume: 135 Issue: 5 Pages: 115-124

    • DOI

      10.1007/s00214-016-1875-z

    • Related Report
      2016 Annual Research Report
    • Peer Reviewed / Acknowledgement Compliant
  • [Journal Article] The Effects of the Organic-Inorganic Interactions on the Thermal Transport Properties of CH3NH3PbI32016

    • Author(s)
      Tomoyuki Hata, Giacomo Giorgi, Koichi Yamashita
    • Journal Title

      Nano Letters

      Volume: - Issue: 4 Pages: 2749-2753

    • DOI

      10.1021/acs.nanolett.6b00457

    • Related Report
      2016 Annual Research Report
    • Peer Reviewed / Int'l Joint Research / Acknowledgement Compliant
  • [Journal Article] Structural and electronic features of small hybrid organic?inorganic halide perovskite clusters: a theoretical analysis2016

    • Author(s)
      Giorgi Giacomo、Yoshihara Tomohiro、Yamashita Koichi
    • Journal Title

      Physical Chemistry Chemical Physics

      Volume: 18 Issue: 39 Pages: 27124-27132

    • DOI

      10.1039/c6cp03193e

    • Related Report
      2016 Annual Research Report
    • Peer Reviewed / Int'l Joint Research
  • [Journal Article] Energy Alignment of Frontier Orbitals and Suppression of Charge Recombinations in P3HT/SWNT2015

    • Author(s)
      Katsuhiko Nishimra, Mikiya Fujii, Ryota Jono, and Koichi Yamashita
    • Journal Title

      The Journal of Physical Chemistry C

      Volume: 119 Issue: 47 Pages: 26258-26265

    • DOI

      10.1021/acs.jpcc.5b06876

    • Related Report
      2015 Annual Research Report
    • Peer Reviewed / Acknowledgement Compliant
  • [Journal Article] Zero-dipole molecular organic cations in mixed organic-inorganic halide perovskites: possible chemical solution for the reported anomalous hysteresis in the current-voltage curve measurements2015

    • Author(s)
      G. Giorgi, K. Yamashita
    • Journal Title

      Nanotechnology

      Volume: 26 Issue: 44 Pages: 442001-442001

    • DOI

      10.1088/0957-4484/26/44/442001

    • Related Report
      2015 Annual Research Report
    • Peer Reviewed / Int'l Joint Research / Acknowledgement Compliant
  • [Journal Article] Organic-inorganic halide perovskites: an ambipolar class of materials with enhanced photovoltaic performances2015

    • Author(s)
      G. Giogi, K. Yamashita
    • Journal Title

      J. Mater. Chem. A

      Volume: 3 Issue: 17 Pages: 8981-8991

    • DOI

      10.1039/c4ta05046k

    • Related Report
      2015 Annual Research Report
    • Peer Reviewed / Int'l Joint Research / Acknowledgement Compliant
  • [Journal Article] Theoretical Study of Surface Complexes between TiO<sub>2</sub> and HeteroTCNQs Showing Interfacial Charge-Transfer Transitions Designed Based on Redox Potential2015

    • Author(s)
      Yuhei Shimoda, Ryota Jono, Hiroshi Segawa, Koichi Yamashita
    • Journal Title

      Bulletin of the Chemical Society of Japan

      Volume: 88 Issue: 10 Pages: 1410-1416

    • DOI

      10.1246/bcsj.20150046

    • NAID

      130005102807

    • ISSN
      0009-2673, 1348-0634
    • Related Report
      2015 Annual Research Report
    • Peer Reviewed / Acknowledgement Compliant
  • [Journal Article] Alternative, lead-free, hybrid organic-inorganic perovskites for solar applications: a DFT analysis2015

    • Author(s)
      Giacomo Giorgi, Koichi Yamashita
    • Journal Title

      Chem. Lett.

      Volume: 44 Issue: 6 Pages: 826-828

    • DOI

      10.1246/cl.150143

    • NAID

      130005074593

    • Related Report
      2015 Annual Research Report
    • Peer Reviewed / Int'l Joint Research
  • [Presentation] Structural and Electronic Features of Hybrid Organic Inorganic Halide Perovskite Clusters and Surfaces:Insights from First Principles2017

    • Author(s)
      山下 晃一
    • Organizer
      ICCMSE2017
    • Related Report
      2017 Annual Research Report
    • Int'l Joint Research / Invited
  • [Presentation] CARRIER DYNAMICS OF ORGANIC-INORGANIC METAL HALIDE PEROVSKITES2017

    • Author(s)
      山下 晃一
    • Organizer
      International Conference & Workshop REMOO
    • Related Report
      2017 Annual Research Report
    • Int'l Joint Research
  • [Presentation] Theoretical Study on Energy Conversion Processes of Perovskite Solar Cells2017

    • Author(s)
      山下 晃一
    • Organizer
      Nano and Giga Challenges in Electronics, Photonics and Renewable Energy
    • Related Report
      2017 Annual Research Report
    • Int'l Joint Research / Invited
  • [Presentation] Thermal Effect on the Morphology and Performance of Organic Photovoltaics2017

    • Author(s)
      E. Kawashima, M. Fujii, K. Yamashita
    • Organizer
      EMN Summit 2017
    • Related Report
      2017 Annual Research Report
    • Int'l Joint Research / Invited
  • [Presentation] Charge Separation and Charge Carrier Trapping of Lead Iodide Perovskites2017

    • Author(s)
      山下 晃一
    • Organizer
      Psi-k workshop
    • Related Report
      2017 Annual Research Report
    • Int'l Joint Research / Invited
  • [Presentation] Theoretical Study on Energy Conversion Processes of Perovskite Solar Cells2016

    • Author(s)
      K. Yamashita
    • Organizer
      IUPAC 12th International Conference on Novel Materials and their Synthesis (NMS-XII)
    • Related Report
      2016 Annual Research Report
    • Int'l Joint Research / Invited
  • [Presentation] Energy Alignment of Frontier Orbitals and Suppression of Charge Recombinations in P3HT/SWNT2016

    • Author(s)
      K. Nishimura, M. Fujii, R. Jono, and K.Yamashita
    • Organizer
      12th ICCMSE
    • Related Report
      2016 Annual Research Report
    • Int'l Joint Research / Invited
  • [Presentation] Energy Alignment of Frontier Orbitals and Suppression of Charge Recombinations in P3HT/SWNT2016

    • Author(s)
      K. Nishimura, M. Fujii, R. Jono, and K.Yamashita
    • Organizer
      APCTCC7
    • Related Report
      2016 Annual Research Report
    • Int'l Joint Research / Invited
  • [Presentation] Zero-Dimensional Hybrid Organic Inorganic Halide Perovskite Modeling: Insights from First Principles2016

    • Author(s)
      Giacomo Giorgi, Koichi Yamashita
    • Organizer
      7th International conference on Advanced Nanomaterilas
    • Related Report
      2016 Annual Research Report
    • Int'l Joint Research
  • [Presentation] Zero-Dimensional Hybrid Organic Inorganic Halide Perovskite Modeling: Insights from First Principles2016

    • Author(s)
      Giacomo Giorgi, Koichi Yamashita
    • Organizer
      Spanish-Portuguese Conference on Photochemistry
    • Related Report
      2016 Annual Research Report
    • Int'l Joint Research
  • [Presentation] Carrier Dynamics of Organic-Inorganic Metal Halide Perovskite Semiconductors2015

    • Author(s)
      Koichi Yamashita
    • Organizer
      PACIFICHEM2015
    • Place of Presentation
      Honolulu, Hawaii
    • Year and Date
      2015-12-15
    • Related Report
      2015 Annual Research Report
    • Int'l Joint Research / Invited
  • [Presentation] Carrier Dynamics of Organic-Inorganic Metal Halide Perovskite Semiconductors2015

    • Author(s)
      Koichi Yamashita
    • Organizer
      ICIQ-FIFC Spain-Japan Joint Symposium on Theoretical and Computational Chemistry of Complex Systems
    • Place of Presentation
      Institute of Chemical research of Catalonia, Tarragona, Spain
    • Year and Date
      2015-11-25
    • Related Report
      2015 Annual Research Report
    • Int'l Joint Research / Invited
  • [Presentation] Carrier Dynamics of Organic-Inorganic Metal Halide Perovskite Semiconductors2015

    • Author(s)
      Koichi Yamashita
    • Organizer
      6th JCS International Symposium on Theoretical Chemistry
    • Place of Presentation
      Smolenice Castle, Smolenice, Slovakia
    • Year and Date
      2015-10-11
    • Related Report
      2015 Annual Research Report
    • Int'l Joint Research / Invited
  • [Presentation] Carrier Dynamics of Organic-Inorganic Metal Halide Perovskite Semiconductors2015

    • Author(s)
      Koichi Yamashita
    • Organizer
      the CECAM workshop on Perovskite solar cells: the quest for a theoretical description
    • Place of Presentation
      CECAM-HQ EPFL, Lausanne, Switzerland
    • Year and Date
      2015-08-25
    • Related Report
      2015 Annual Research Report
    • Int'l Joint Research / Invited
  • [Presentation] Carrier Dynamics of Organic-Inorganic Metal Halide Perovskite Semiconductors2015

    • Author(s)
      Koichi Yamashita
    • Organizer
      the CECAM workshop on Charge Transfer Modeling in Chemistry: new methods and solutions for a long-standing problem
    • Place of Presentation
      Chimie ParisTech, Paris, France
    • Year and Date
      2015-04-07
    • Related Report
      2015 Annual Research Report
    • Int'l Joint Research / Invited
  • [Remarks] 東京大学工学部化学システム工学科山下・牛山研究室

    • URL

      http://www.tcl.t.u-tokyo.ac.jp/

    • Related Report
      2015 Annual Research Report

URL: 

Published: 2015-04-16   Modified: 2019-03-29  

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