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Theoretical study on charge speration and recombination dynamics to control the efficiency and stability of photosynthetic light harvesting

Research Project

Project/Area Number 17H02946
Research Category

Grant-in-Aid for Scientific Research (B)

Allocation TypeSingle-year Grants
Section一般
Research Field Biological physics/Chemical physics/Soft matter physics
Research InstitutionInstitute for Molecular Science

Principal Investigator

Ishizaki Akihito  分子科学研究所, 理論・計算分子科学研究領域, 教授 (60636207)

Project Period (FY) 2017-04-01 – 2021-03-31
Project Status Completed (Fiscal Year 2020)
Budget Amount *help
¥18,850,000 (Direct Cost: ¥14,500,000、Indirect Cost: ¥4,350,000)
Fiscal Year 2020: ¥2,990,000 (Direct Cost: ¥2,300,000、Indirect Cost: ¥690,000)
Fiscal Year 2019: ¥5,590,000 (Direct Cost: ¥4,300,000、Indirect Cost: ¥1,290,000)
Fiscal Year 2018: ¥5,590,000 (Direct Cost: ¥4,300,000、Indirect Cost: ¥1,290,000)
Fiscal Year 2017: ¥4,680,000 (Direct Cost: ¥3,600,000、Indirect Cost: ¥1,080,000)
Keywords電荷移動ダイナミクス / 電荷再結合 / 光合成光捕集系 / 量子ダイナミクス / 分子計測 / 量子もつれ光 / エネルギー移動 / 量子もつれ光子 / 時間分解分光スペクトル / 量子光学 / 非線形光学応答 / 光合成初期過程 / 太陽光 / 初期電荷分離 / 電子移動 / スピン輸送 / 量子もつれ光子対 / 光化学系II / 擬似太陽光 / 電荷分離反応 / 光合成反応中心タンパク質 / 光合成反応中心 / 量子非局在化 / デコヒーレンス / 化学物理 / 量子動力学 / 分子分光モデリング
Outline of Final Research Achievements

We investigated the impacts of the protein environment and intramolecular vibrations on primary charge separation at the photosystem II reaction center (PSII-RC). We reported that individual vibrational modes play a minor role in promoting charge separation. Nevertheless, these small contributions accumulate to considerably influence the charge separation rate, resulting in subpicosecond charge separation almost independent of the driving force and temperature.
The recombination of the once-separated electron and hole is a major loss mechanism in photovoltaic systems. We investigated a potential ratchet mechanism arising from the combination of quantum delocalization and its destruction. We demonstrated that the non-Markovian effect originating from the slow polaron formation suppresses the electron-transfer reaction back to the interfacial charge-transfer state stabilized at the donor-accepter interface and that it plays a role in maintaining the long-range electron-hole separation.

Academic Significance and Societal Importance of the Research Achievements

量子ダイナミクス理論・分光データ解析・計算化学を統合させることにより得られた成果は、光合成光捕集系がその効率性と恒常性を維持するために自律的に制御していると考えられる「色素分子間の光誘起電荷分離反応とそれに続く電荷再結合反応の制御の分子機構」を解明する上で重要な洞察を与えている。
産業技術へ応用という視点からは、電荷再結合過程の回避・制御に関する理解の深化が挙げられる。人工光合成や太陽電池の高効率化を図る上でボトルネックになる問題の一つは、光照射によって分離した電子と正孔の電荷再結合過程をどう防ぐかである。この意味で、本成果は光電変換効率の高いシステムのデザインに向けた有意義な洞察を与える。

Report

(5 results)
  • 2020 Annual Research Report   Final Research Report ( PDF )
  • 2019 Annual Research Report
  • 2018 Annual Research Report
  • 2017 Annual Research Report
  • Research Products

    (50 results)

All 2021 2020 2019 2018 2017 Other

All Int'l Joint Research (2 results) Journal Article (10 results) (of which Int'l Joint Research: 1 results,  Peer Reviewed: 10 results,  Open Access: 5 results) Presentation (38 results) (of which Int'l Joint Research: 8 results,  Invited: 16 results)

  • [Int'l Joint Research] カリフォルニア大学バークレー(米国)

    • Related Report
      2020 Annual Research Report
  • [Int'l Joint Research] University of California Berkeley(米国)

    • Related Report
      2019 Annual Research Report
  • [Journal Article] Insights into Photosynthetic Energy Transfer Gained from Free-Energy Structure: Coherent Transport, Incoherent Hopping, and Vibrational Assistance Revisited2021

    • Author(s)
      Ishizaki Akihito、Fleming Graham R.
    • Journal Title

      The Journal of Physical Chemistry B

      Volume: 125 Issue: 13 Pages: 3286-3295

    • DOI

      10.1021/acs.jpcb.0c09847

    • Related Report
      2020 Annual Research Report 2019 Annual Research Report
    • Peer Reviewed / Open Access / Int'l Joint Research
  • [Journal Article] Generation of pseudo-sunlight via quantum entangled photons and the interaction with molecules2020

    • Author(s)
      Fujihashi Yuta、Shimizu Ryosuke、Ishizaki Akihito
    • Journal Title

      Physical Review Research

      Volume: 2 Issue: 2

    • DOI

      10.1103/physrevresearch.2.023256

    • Related Report
      2020 Annual Research Report 2019 Annual Research Report
    • Peer Reviewed / Open Access
  • [Journal Article] Probing excited-state dynamics with quantum entangled photons: correspondence to coherent multidimensional spectroscopy2020

    • Author(s)
      Akihito Ishizaki
    • Journal Title

      Journal of Chemical Physics

      Volume: 153

    • Related Report
      2020 Annual Research Report 2019 Annual Research Report
    • Peer Reviewed / Open Access
  • [Journal Article] Controlling the nonadiabatic electron-transfer reaction rate through molecular-vibration polaritons in the ultrastrong coupling regime2020

    • Author(s)
      Nguyen Thanh Phuc, Pham Quang Trung, Akihito Ishizaki
    • Journal Title

      Scientific Reports

      Volume: 10 Issue: 1

    • DOI

      10.1038/s41598-020-62899-8

    • Related Report
      2020 Annual Research Report 2019 Annual Research Report
    • Peer Reviewed / Open Access
  • [Journal Article] Prerequisites for Relevant Spectral Density and Convergence of Reduced Density Matrices at Low Temperatures2020

    • Author(s)
      Ishizaki Akihito
    • Journal Title

      Journal of the Physical Society of Japan

      Volume: 89 Issue: 1 Pages: 015001-015001

    • DOI

      10.7566/jpsj.89.015001

    • NAID

      210000157754

    • Related Report
      2019 Annual Research Report
    • Peer Reviewed / Open Access
  • [Journal Article] Control of quantum dynamics of electron transfer in molecular loop structures: Spontaneous breaking of chiral symmetry under strong decoherence2019

    • Author(s)
      Phuc Nguyen Thanh、Ishizaki Akihito
    • Journal Title

      Physical Review B

      Volume: 99 Issue: 6 Pages: 064301-064301

    • DOI

      10.1103/physrevb.99.064301

    • Related Report
      2018 Annual Research Report
    • Peer Reviewed
  • [Journal Article] Non-Markovian Quantum-Classical Ratchet for Ultrafast Long-Range Electron-Hole Separation in Condensed Phases2018

    • Author(s)
      Kato Akihito、Ishizaki Akihito
    • Journal Title

      Physical Review Letters

      Volume: 121 Issue: 2 Pages: 026001-026001

    • DOI

      10.1103/physrevlett.121.026001

    • Related Report
      2018 Annual Research Report
    • Peer Reviewed
  • [Journal Article] Intramolecular Vibrations Complement the Robustness of Primary Charge Separation in a Dimer Model of the Photosystem II Reaction Center2018

    • Author(s)
      Fujihashi Yuta、Higashi Masahiro、Ishizaki Akihito
    • Journal Title

      The Journal of Physical Chemistry Letters

      Volume: 9 Issue: 17 Pages: 4921-4929

    • DOI

      10.1021/acs.jpclett.8b02119

    • Related Report
      2018 Annual Research Report
    • Peer Reviewed
  • [Journal Article] Control of excitation energy transfer in condensed phase molecular systems by Floquet engineering.2018

    • Author(s)
      Nguyen Thanh Phuc, Akihito Ishizaki
    • Journal Title

      Journal of Physical Chemistry Letters

      Volume: 9 Issue: 6 Pages: 1243-1248

    • DOI

      10.1021/acs.jpclett.8b00067

    • Related Report
      2017 Annual Research Report
    • Peer Reviewed
  • [Journal Article] Non-Markovian quantum-classical ratchet for ultrafast long-range electron-hole separation in condensed phases2018

    • Author(s)
      Akihito Kato, Akihito Ishizaki
    • Journal Title

      Physical Review Letters

      Volume: 印刷中

    • Related Report
      2017 Annual Research Report
    • Peer Reviewed
  • [Presentation] 光量子科学に基づく天然光合成系の動的過程に関する理論研究2021

    • Author(s)
      藤橋裕太, 石崎章仁
    • Organizer
      新学術領域研究「革新的光物質変換」 第3回公開シンポジウム
    • Related Report
      2020 Annual Research Report
  • [Presentation] 量子科学技術に基づく複雑分子系における動的過程の理論的研究2021

    • Author(s)
      藤橋裕太、石崎章仁
    • Organizer
      日本物理学会 第76回年次大会
    • Related Report
      2020 Annual Research Report
    • Invited
  • [Presentation] 三光子もつれ状態に関する二光子同時計数検出を利用する時間分解分光の理論2021

    • Author(s)
      藤橋裕太, 石崎章仁
    • Organizer
      日本物理学会 第76回年次大会
    • Related Report
      2020 Annual Research Report
  • [Presentation] "エキシトン・ポラリトンをもとに凝縮相分子系の励起エネルギーの精密測定 (Precise Determination of Excitation Energies in Condensed-Phase Molecular Systems based on Exciton-Polariton Measurements)"2020

    • Author(s)
      グェン タン フク、石崎章仁
    • Organizer
      日本物理学会 2020年秋季大会
    • Related Report
      2020 Annual Research Report 2019 Annual Research Report
  • [Presentation] "超強結合領域で分子振動ポラリトンによって非断熱的な電子移動の反応速度の制御 (Controlling the Nonadiabatic Electron-Transfer Reaction Rate through Molecular-Vibration Polaritons in the Ultrastrong Coupling Regime)"2020

    • Author(s)
      グェン タン フク、ファム クアン チュン、石崎章仁
    • Organizer
      日本物理学会 2020年秋季大会
    • Related Report
      2020 Annual Research Report 2019 Annual Research Report
  • [Presentation] 量子科学技術に基づく複雑分子系の観測と制御の理論2020

    • Author(s)
      石崎章仁
    • Organizer
      電気通信大学大学院情報理工学研究科講演会
    • Related Report
      2020 Annual Research Report
    • Invited
  • [Presentation] Dynamics in Photosynthetic System: Quantum dissipation, vibrational assistance, and quantum light spectroscopy2020

    • Author(s)
      Akihito Ishizaki
    • Organizer
      The 3rd International Forum on Quantum Metrology and Sensing
    • Related Report
      2020 Annual Research Report 2019 Annual Research Report
    • Int'l Joint Research / Invited
  • [Presentation] Probing excited-state dynamics with quantum entangled photons: Two-photon coincidence counting measurement with three entangled photons2020

    • Author(s)
      Yuta Fujihashi, Akihito Ishizaki
    • Organizer
      The 3rd International Forum on Quantum Metrology and Sensing
    • Related Report
      2020 Annual Research Report 2019 Annual Research Report
    • Int'l Joint Research
  • [Presentation] 三光子もつれ状態を用いた非線形分光法の理論的研究2020

    • Author(s)
      藤橋裕太, 石崎章仁
    • Organizer
      量子生命科学会 第2回大会
    • Related Report
      2020 Annual Research Report 2019 Annual Research Report
  • [Presentation] 量子科学技術に基づく複雑分子系における動的過程の理論的研究2020

    • Author(s)
      藤橋裕太, 石崎章仁
    • Organizer
      日本物理学会 第76回年次大会
    • Related Report
      2019 Annual Research Report
    • Invited
  • [Presentation] 三光子もつれ状態に関する二光子同時計数検出を利用する時間分解分光の理論2020

    • Author(s)
      藤橋裕太, 石崎章仁
    • Organizer
      日本物理学会 第76回年次大会
    • Related Report
      2019 Annual Research Report
  • [Presentation] Control of quantum dynamics of condensed-phase molecular systems under strong decoherence2019

    • Author(s)
      Nguyen Thanh Phuc, Akihito Ishizaki
    • Organizer
      日本物理学会 第74回年次大会
    • Related Report
      2018 Annual Research Report
  • [Presentation] Control of quantum dynamics of condensed-phase molecular systems with Floquet engineering2019

    • Author(s)
      Nguyen Thanh Phuc, Akihito Ishizaki
    • Organizer
      理論計算科学の挑戦・量子化学研究会
    • Related Report
      2018 Annual Research Report
  • [Presentation] 量子コヒーレンスとその破壊の組み合わせによる凝縮相中の長距離電荷分離2019

    • Author(s)
      加藤彰人、石崎章仁
    • Organizer
      新学術領域研究「革新的光物質変換」第2回公開シンポジウム
    • Related Report
      2018 Annual Research Report
  • [Presentation] 量子コヒーレンスとその破壊の組み合わせによる凝縮相中の長距離電荷分離2019

    • Author(s)
      加藤彰人、石崎章仁
    • Organizer
      スーパーコンピュータワークショップ2018
    • Related Report
      2018 Annual Research Report
  • [Presentation] 周波数量子もつれ光を用いた分光法の理論研究2019

    • Author(s)
      藤橋裕太、石崎章仁
    • Organizer
      日本物理学会 第74回年次大会
    • Related Report
      2018 Annual Research Report
  • [Presentation] Control of quantum dynamics of electronic excitation transfer in condensed-phase molecular systems under strong decoherence2018

    • Author(s)
      Nguyen Thanh Phuc, Akihito Ishizaki
    • Organizer
      International Symposium on Frontiers of Quantum Transport in Nano Science
    • Related Report
      2018 Annual Research Report
    • Int'l Joint Research
  • [Presentation] Floquet-engineered molecular systems in condensed phase2018

    • Author(s)
      Nguyen Thanh Phuc, Akihito Ishizaki
    • Organizer
      The 9th International Conference on Coherent Multidimensional Spectroscopy
    • Related Report
      2018 Annual Research Report
    • Int'l Joint Research
  • [Presentation] Control of quantum dynamics of electronic excitation transfer in condensed-phase molecular systems2018

    • Author(s)
      Nguyen Thanh Phuc, Akihito Ishizaki
    • Organizer
      分子科学討論会
    • Related Report
      2018 Annual Research Report
  • [Presentation] Control of excitation energy transfer in condensed phase biological molecular systems by Floquet engineering2018

    • Author(s)
      Nguyen Thanh Phuc, Akihito Ishizaki
    • Organizer
      量子生命科学研究会
    • Related Report
      2018 Annual Research Report
  • [Presentation] Non-Markovian charge separation and system-reservoir correlation effect in heat transport2018

    • Author(s)
      Akihito Kato, Akihito Ishizaki
    • Organizer
      International Symposium on Frontiers of Quantum Transport in Nano Science
    • Related Report
      2018 Annual Research Report
    • Int'l Joint Research
  • [Presentation] Photophysical Quantum Dynamics of Light Harvesting Processes in Photosynthetic and Photovoltaic Systems2018

    • Author(s)
      Akihito Ishizaki
    • Organizer
      10th Asian Photochemistry Conference
    • Related Report
      2018 Annual Research Report
    • Int'l Joint Research / Invited
  • [Presentation] 量子散逸系として見る光合成光捕集におけるダイナミクス2018

    • Author(s)
      石﨑章仁
    • Organizer
      応用物理学会量子エレクトロニクス研究会
    • Related Report
      2018 Annual Research Report
    • Invited
  • [Presentation] Intramolecular vibrations complement robustness of the primary charge separation in Photosystem II reaction center2018

    • Author(s)
      石﨑章仁
    • Organizer
      第56回日本生物物理学学会年会
    • Related Report
      2018 Annual Research Report
    • Invited
  • [Presentation] 量子散逸系としてみる光捕集系:PSII反応中心における初期電荷分離、有機太陽電池における電荷再結合2018

    • Author(s)
      石﨑章仁
    • Organizer
      2018年光化学討論会
    • Related Report
      2018 Annual Research Report
    • Invited
  • [Presentation] Molecular encryption and processing of information2018

    • Author(s)
      石﨑章仁
    • Organizer
      第14回日独先端科学シンポジウム
    • Related Report
      2018 Annual Research Report
    • Invited
  • [Presentation] Effects of dephasing upon quantum dynamical phenomena in condensed phase molecular processes2018

    • Author(s)
      Akihito Ishizaki
    • Organizer
      Workshop on quantum effects in biological systems
    • Related Report
      2018 Annual Research Report
    • Int'l Joint Research / Invited
  • [Presentation] 量子散逸系のダイナミクス理論とその光合成初期過程への展開2017

    • Author(s)
      石崎章仁
    • Organizer
      理化学研究所「物質階層原理研究」第1回春期研究会
    • Related Report
      2017 Annual Research Report
    • Invited
  • [Presentation] 多光子分光法の可能性―量子もつれ分光法は可能か―2017

    • Author(s)
      石崎章仁
    • Organizer
      第14回AMO討論会
    • Related Report
      2017 Annual Research Report
    • Invited
  • [Presentation] 量子散逸系として見る光合成光捕集系2017

    • Author(s)
      石崎章仁
    • Organizer
      2017 年度生命科学系学会合同年次大会
    • Related Report
      2017 Annual Research Report
    • Invited
  • [Presentation] 量子散逸系としてみる光捕集系のエネルギー移動・電荷分離2017

    • Author(s)
      石崎章仁
    • Organizer
      新学術研究「光合成分子機構の学理解明と時空間制御による革新的光-物質変換系の創製」第1回公開シンポジウム
    • Related Report
      2017 Annual Research Report
    • Invited
  • [Presentation] 量子開放系として見る光合成光捕集系: ダイナミクスと光学応答2017

    • Author(s)
      石崎章仁
    • Organizer
      レーザー学会第38回年次大会
    • Related Report
      2017 Annual Research Report
    • Invited
  • [Presentation] Quantum dynamical aspects in biophysical and material systems2017

    • Author(s)
      Akihito Ishizaki
    • Organizer
      1st QST International Symposium: Quantum Life Science,
    • Related Report
      2017 Annual Research Report
    • Int'l Joint Research / Invited
  • [Presentation] 光化学系II反応中心の電荷分離過程における分子内振動の影響の解析2017

    • Author(s)
      藤橋裕太、東雅大、石崎章仁
    • Organizer
      新学術領域研究「革新的光物質変換」第1回公開シンポジウム
    • Related Report
      2017 Annual Research Report
  • [Presentation] 光化学系II反応中心における初期電荷分離反応に対するタンパク質環境揺らぎと分子内振動の影響2017

    • Author(s)
      藤橋裕太、東雅大、石崎章仁
    • Organizer
      日本物理学会第73回年次大会
    • Related Report
      2017 Annual Research Report
  • [Presentation] Spin Hall effect in heteronuclear molecular systems2017

    • Author(s)
      Nguyen Thanh Phuc
    • Organizer
      JPS Autumn Meeting 2017
    • Related Report
      2017 Annual Research Report
  • [Presentation] 非マルコフ効果による有機薄膜太陽電池における電荷再結合からの保護2017

    • Author(s)
      加藤彰人、石崎章仁
    • Organizer
      新学術領域研究「革新的光物質変換」第1回公開シンポジウム
    • Related Report
      2017 Annual Research Report
  • [Presentation] 非マルコフ効果による有機薄膜太陽電池における電荷再結合からの保護2017

    • Author(s)
      加藤彰人、石崎章仁
    • Organizer
      日本物理学会第73回年次大会
    • Related Report
      2017 Annual Research Report

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Published: 2017-04-28   Modified: 2022-01-27  

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