Updated on 2022/05/26

写真a

 
HATAKEYAMA, Kan
 
Affiliation
Faculty of Science and Engineering, School of Advanced Science and Engineering
Job title
Assistant Professor(without tenure)

Concurrent Post

  • Faculty of Science and Engineering   Graduate School of Advanced Science and Engineering

Education

  • 2015.04
    -
    2018.03

    Waseda university  

  • 2013.04
    -
    2015.03

    Waseda university  

  • 2009.04
    -
    2013.03

    Waseda university  

  • 　
    -
    2009.03

    早稲田大学 高等学院  

Degree

  • 博士(工学)

Research Experience

  • 2018.04
    -
    　

    Waseda university

  • 2015.04
    -
    2018.03

    独立行政法人日本学術振興会 特別研究員DC1

  • 2017.01
    -
    2017.03

    Texas A&M University   Lutkenhaus' group   Visiting Researcher

  • 2015.03
    -
    2015.05

    Evonik Industries AG   Internship

Professional Memberships

  • 　
    　
    　

    有機合成化学協会

  • 　
    　
    　

    高分子学会

  • 　
    　
    　

    日本化学会

 

Research Areas

  • Polymer chemistry

Research Interests

  • リチウムイオン電池

  • Organic electrochemistry

  • Organic electronics

  • Materials informatics

  • Functional polymers

  • Polymer chemistry

▼display all

Papers

  • Quadruply fused aromatic heterocycles toward 4 V‐class robust organic cathode‐active materials

    Kan Hatakeyama-Sato, Choitsu Go, Tomoki Akahane, Takahiro Kaseyama, Takuji Yoshimoto, Kenichi Oyaizu

    Batteries & Supercaps    2022.04  [Refereed]  [Invited]

    Authorship：Lead author, Corresponding author

    DOI

  • A PROXYL‐Type Norbornene Polymer for High‐Voltage Cathodes in Lithium Batteries

    Kan Hatakeyama‐Sato, Satoshi Matsumoto, Hirofumi Takami, Tomomi Nagatsuka, Kenichi Oyaizu

    Macromolecular Rapid Communications   42 ( 19 ) 2100374 - 2100374  2021.10  [Refereed]

    Authorship：Lead author

    DOI

  • Generative Models for Extrapolation Prediction in Materials Informatics

    Kan Hatakeyama-Sato, Kenichi Oyaizu

    ACS Omega   6 ( 22 ) 14566 - 14574  2021.06  [Refereed]

    Authorship：Lead author, Corresponding author

    DOI

  • Anomalous potential shifts of redox-active molecules in highly concentrated electrolytes

    Kan Hatakeyama-Sato, Satoshi Matsumoto, Ikuma Aida, Kenichi Oyaizu

    Chemistry Letters    2021.04  [Refereed]

    Authorship：Lead author, Corresponding author

    DOI

  • TEMPO‐Substituted Poly(ethylene sulfide) for Solid‐State Electro‐Chemical Charge Storage

    Kan Hatakeyama‐Sato, Hisato Wakamatsu, Satoshi Matsumoto, Karin Sadakuni, Koji Matsuoka, Tomomi Nagatsuka, Kenichi Oyaizu

    Macromolecular Rapid Communications     2000607 - 2000607  2021.01  [Refereed]

    Authorship：Lead author, Corresponding author

    DOI

  • Tackling the Challenge of a Huge Materials Science Search Space with Quantum‐Inspired Annealing

    Kan Hatakeyama-Sato, Takahiro Kashikawa, Koichi Kimura, Kenichi Oyaizu

    Advanced Intelligent Systems     2000209 - 2000209  2021.01  [Refereed]

    Authorship：Lead author, Corresponding author

    DOI

  • Reversible Reduction of the TEMPO Radical: One Step Closer to an All-Organic Redox Flow Battery

    Luke Wylie, Thomas Blesch, Rebecca Freeman, Kan Hatakeyama-Sato, Kenichi Oyaizu, Masahiro Yoshizawa-Fujita, Ekaterina I. Izgorodina

    ACS Sustainable Chemistry & Engineering   49   17988 - 17996  2020.12  [Refereed]

    DOI

  • Electrochemical Characterization and Thermodynamic Analysis of TEMPO Derivatives in Ionic Liquids

    Luke Wylie, Kan Hatakeyama-Sato, Choitsu Go, Kenichi Oyaizu, Ekaterina I. Izgorodina

    Physical Chemistry Chemical Physics   23   10205 - 10217  2020.12  [Refereed]

    　View Summary

    <p>In this study we investigate the reversibility of the reduction process of three TEMPO derivatives - TEMPOL, 4-cyano-TEMPO, and 4-oxo-TEMPO. The [C2mim][BF4] and [C4mpyr][OTf] ionic liquids (ILs) were used to...</p>

    DOI

  • Integrating multiple materials science projects in a single neural network

    Kan Hatakeyama-Sato, Kenichi Oyaizu

    Communications Materials   1 ( 1 ) article number: 49  2020.12  [Refereed]

    Authorship：Lead author

    DOI

  • Charge-Transfer Complexes for Solid-State Li+ Conduction

    Kan Hatakeyama-Sato, Momoka Umeki, Toshiki Tezuka, Kenichi Oyaizu

    ACS Applied Electronic Materials   2 ( 7 ) 2211 - 2217  2020.07  [Refereed]

    Authorship：Lead author

    DOI

  • Ultrafast Charge/Discharge by a 99.9% Conventional Lithium Iron Phosphate Electrode Containing 0.1% Redox-Active Fluoflavin Polymer

    Kan Hatakeyama-Sato, Tomoki Akahane, Choitsu Go, Takahiro Kaseyama, Takuji Yoshimoto, Kenichi Oyaizu

    ACS Energy Letters   5 ( 5 ) 1712 - 1717  2020.05  [Refereed]

    Authorship：Lead author

    DOI

  • Metal‐Free, Solid‐State, Paperlike Rechargeable Batteries Consisting of Redox‐Active Polyethers

    Kan Hatakeyama‐Sato, Toshiki Tezuka, Rieka Ichinoi, Satoshi Matsumono, Karin Sadakuni, Kenichi Oyaizu

    ChemSusChem   13 ( 9 ) 2443 - 2448  2020.05  [Refereed]

    Authorship：Lead author

    DOI

  • A Highly Flexible Yet >300 mAh cm −3 Energy Density Lithium‐Ion Battery Assembled with the Cathode of a Redox‐Active Polyether Binder

    Kan Hatakeyama-Sato, Ryusuke Mizukami, Takuma Serikawa, Kenichi Oyaizu, Hiroyuki Nishide

    Energy Technology   8 ( 3 ) 1901159 - 1901159  2020.03  [Refereed]

    Authorship：Lead author

    DOI

  • AI-Assisted Exploration of Superionic Glass-Type Li+ Conductors with Aromatic Structures

    Kan Hatakeyama-Sato, Toshiki Tezuka, Momoka Umeki, Kenichi Oyaizu

    Journal of the American Chemical Society   142 ( 7 ) 3301 - 3305  2020.02  [Refereed]

    Authorship：Lead author

    DOI

  • Facile synthesis of poly(glycidyl ether)s with ionic pendant groups by thiol-ene reactions

    Kan Hatakeyama-Sato, Satoshi Kimura, Satoshi Matsumoto, Kenichi Oyaizu

    Macromolecular Rapid Communications   2019   1900399  2019.10  [Refereed]

    DOI

  • Nonconjugated Redox-Active Polymer Mediators for Rapid Electrocatalytic Charging of Lithium Metal Oxides

    Kan Hatakeyama-Sato, Tomomi Masui, Takuma Serikawa, Yusuke Sasaki, Wonsung Choi, Seok-Gwang Doo, Hiroyuki Nishide, Kenichi Oyaizu

    ACS Applied Energy Materials   2 ( 9 ) 6375 - 6382  2019.09  [Refereed]

    Authorship：Lead author

    DOI

  • n-Type Redox-active Benzoylpyridinium-substituted Supramolecular Gel for an Organogel-based Rechargeable Device

    Kan Hatakeyama-Sato, Rieka Ichinoi, Yoshito Sasada, Yusuke Sasaki, Kenichi Oyaizu, Hiroyuki Nishide

    Chemistry Letters   48 ( 6 ) 555 - 557  2019.06  [Refereed]

    Authorship：Lead author

    DOI

  • Ultrathin and Stretchable Rechargeable Devices with Organic Polymer Nanosheets Conformable to Skin Surface

    Kan Hatakeyama‐Sato, Hisato Wakamatsu, Kento Yamagishi, Toshinori Fujie, Shinji Takeoka, Kenichi Oyaizu, Hiroyuki Nishide

    Small   15 ( 13 ) 1805296 - 1805296  2019.03  [Refereed]

    Authorship：Lead author

    DOI

  • Hydrophilic Organic Redox-Active Polymer Nanoparticles for Higher Energy Density Flow Batteries

    Kan Hatakeyama-Sato, Takashi Nagano, Shiori Noguchi, Yota Sugai, Jie Du, Hiroyuki Nishide, Kenichi Oyaizu

    ACS Applied Polymer Materials   1 ( 2 ) 188 - 196  2019.02  [Refereed]

    Authorship：Lead author

    DOI

  • Synthesis of Lithium-ion Conducting Polymers Designed by Machine Learning-based Prediction and Screening

    Kan Hatakeyama-Sato, Toshiki Tezuka, Yoshinori Nishikitani, Hiroyuki Nishide, Kenichi Oyaizu

    Chemistry Letters   48 ( 2 ) 130 - 132  2019.02  [Refereed]

    Authorship：Lead author

    DOI

  • An Ultrahigh Output Rechargeable Electrode of a Hydrophilic Radical Polymer/Nanocarbon Hybrid with an Exceptionally Large Current Density beyond 1 A cm−2

    Kan Hatakeyama-Sato, Hisato Wakamatsu, Ryu Katagiri, Kenichi Oyaizu, Hiroyuki Nishide

    Advanced Materials   30 ( 26 ) e1800900  2018.06  [Refereed]

    　View Summary

    Facile charge transport by a hydrophilic organic radical-substituted polymer and the 3D current collection by a self-assembled mesh of single-walled carbon nanotube bundles lead to the operation of an ultrahigh-output rechargeable electrode. Exceptionally large current density beyond 1 A cm−2 and high areal capacity around 3 mAh cm−2 are achieved, which are 101−2 times larger than those of the previously reported so-called “ultrafast electrodes.” A sub-millimeter-thick, flexible, highly safe organic redox polymer-based rechargeable device with an aqueous sodium chloride electrolyte is fabricated to demonstrate the superior performance.

    DOI

  • Diffusion-Cooperative Model for Charge Transport by Redox-Active Nonconjugated Polymers

    Kan Sato, Rieka Ichinoi, Ryusuke Mizukami, Takuma Serikawa, Yusuke Sasaki, Jodie Lutkenhaus, Hiroyuki Nishide, Kenichi Oyaizu

    Journal of the American Chemical Society   140 ( 3 ) 1049 - 1056  2018.01  [Refereed]

    　View Summary

    Charge transport processes in nonconjugated redox-active polymers with electrolytes were studied using a diffusion-cooperative model. For the first time, we quantitatively rationalized that the limited Brownian motion of the redox centers bound to the polymers resulted in the 103-4-fold decline of the bimolecular and heterogeneous charge transfer rate constants, which had been unexplained for half a century. As a next-generation design, a redox-active supramolecular system with high physical mobility was proposed to achieve the rate constant as high as in free solution system (&gt
    107 M-1 s-1) and populated site density (&gt
    1 mol/L).

    DOI

  • Command Surface of Self-Organizing Structures by Radical Polymers with Cooperative Redox Reactivity

    Kan Sato, Takahiro Mizuma, Hiroyuki Nishide, Kenichi Oyaizu

    JOURNAL OF THE AMERICAN CHEMICAL SOCIETY   139 ( 39 ) 13600 - 13603  2017.10  [Refereed]

    　View Summary

    Robust radical-substituted polymers with ideal redox capability were used as "command surfaces" for liquid crystal orientation. The alignment of the smectic liquid crystal electrolytes with low-dimensional ion conduction pathways was reversible and readily switched hi response to the redox states of the polymers. In one example, a charge storage device with a cooperative redox effect was fabricated. The bulk ionic conductivity of the cell was significantly decreased only after the electrode was fully charged, due to the anisotropic ionic conductivity of the electrolytes (ratio &gt;10(3)). The switching enabled both a rapid cell response and long charge retention. Such a cooperative Command surface of-self-assembled structures Will give rise to new highly energy efficient supramolecular-based devices including batteries, charge carriers, and actuators.

    DOI

  • Grafted radical polymer brush for surface-driven switching of chiral nematic liquid crystals

    Kan Sato, Takaaki Yamasaki, Hiroyuki Nishide, Kenichi Oyaizu

    POLYMER JOURNAL   49 ( 10 ) 691 - 693  2017.10  [Refereed]

    DOI

  • Totally Organic-based Bendable Rechargeable Devices Composed of Hydrophilic Redox Polymers and Aqueous Electrolyte

    Kan Sato, Ryu Katagiri, Natsuru Chikushi, Subin Lee, Kenichi Oyaizu, Jae-Suk Lee, Hiroyuki Nishide

    CHEMISTRY LETTERS   46 ( 5 ) 693 - 694  2017.05  [Refereed]

    　View Summary

    Totally organic polymer-based, submillimeter-thick, bendable rechargeable devices were fabricated using hydrophilic polymers as electrode-active materials and brine as the electrolyte. The rapid and reversible electrochemical reactions of the polymers enabled quick charging within minutes, long life, and a moderate operation voltage of more than 1V. Quantitative discharge was achieved even when the devices were in a bent state with a radius of curvature of 1 mm.

    DOI

  • Low-Cost, Organic Light-Emitting Electrochemical Cells with Mass-Producible Nanoimprinted Substrates Made Using Roll-to-Roll Methods

    Kan Sato, Soichi Uchida, Shigetaka Toriyama, Suzushi Nishimura, Kenichi Oyaizu, Hiroyuki Nishide, Yoshinori Nishikitani

    ADVANCED MATERIALS TECHNOLOGIES   2 ( 5 ) 1600293  2017.05  [Refereed]

    　View Summary

    Next-generation, power-efficient organic lighting systems, which ideally would be low-cost and mass-producible, are urgently needed because more than 20% of total electricity use goes to lighting. This study presents polymer light-emitting electrochemical cells (PLECs) made using mass-producible nanoimprinted corrugated substrates, which effectively improve light extraction efficiency. The corrugated substrates are fabricated using roll-to-roll methods, using self-assembled block copolymers on glass and film substrates (glass: 0.45 m x 0.55 m, film: 0.6 m wide). Using the glass-type corrugated substrates, two PLECs based on (poly[2-methoxy-5-(2-ethylhexyloxy)-1,4-phenylene vinylene]) and (super-yellow poly(p-phenylene vinylene)) (SY-PPV) are fabricated by solution-based spin-coating methods, which can in practice be replaced by roll-to-roll methods. The corrugated PLECs with SY-PPV show high brightness of 1740 cd cm(-2) and 2.1 times greater efficiency without changing the original spectrum or angular dependence. This successful combination of corrugated substrates and PLECs is one of the best examples of a promising cost-effective, high-performance lighting technology.

    DOI

  • Synthesis of Dimethyl-Substituted Polyviologen and Control of Charge Transport in Electrodes for High-Resolution Electrochromic Displays

    Kan Sato, Ryusuke Mizukami, Takahiro Mizuma, Hiroyuki Nishide, Kenichi Oyaizu

    POLYMERS   9 ( 3 ) 86  2017.03  [Refereed]

    　View Summary

    Electrochromic (EC) polymers such as polyviologens have been attracting considerable attention as wet-processable electrodes for EC displays, thanks to their brilliant color change accompanied with reversible redox reactions. To establish wider usage, achieving multicolor and high-resolution characteristics is indispensable. In this paper, we demonstrated that the introduction of substituents such as methyl groups into bipyridine units changed the stereostructure of the cation radicals, and thus shifted the color (e.g., ordinary purple to blue). Also, by relaxing excessive pi-stacking between the viologen moieties, the response rate was improved by a factor of more than 10. The controlled charge transport throughout the polyviologen layer gave rise to the fabrication of EC displays which are potentially suitable for the thin film transistor (TFT) substrate as the counter electrodes with submillimeter pixels. The findings can be versatilely used for the new design of polyviologens with enhanced electrochemical properties and high-resolution, multicolor EC displays.

    DOI

  • Metallopolyyne polymers with ferrocenyl pendant ligands as cathode active materials for organic battery application

    Zhengong Meng, Kan Sato, Takashi Sukegawa, Kenichi Oyaizu, Cheuk-Lam Ho, Jing Xiang, Ying-Hsuan Feng, Yih Hsing Lo, Hiroyuki Nishide, Wai-Yeung Wong

    JOURNAL OF ORGANOMETALLIC CHEMISTRY   812   51 - 55  2016.06  [Refereed]

    　View Summary

    Two bis(acetylide)-functionalized platinum(II) polymers containing ferrocenyl pendant ligands, trans[(-Pt(PBu3n)(2)-C CRC C-)(n) P1 (R = 9-ferrocenylmethylene-2,7-diethynylfluorene) and P2 (R = ferrocenylmethylene-2,5-diethynylbenzene), were prepared in good yields and were characterized by NMR spectroscopy and GPC. Electrochemical characteristics with copolymers P1 and P2 as the cathode active materials for rechargeable lithium batteries showed chemical and electrochemical reversibility. The thin layer polymer electrodes of P1 and P2 exhibited reversible redox peaks at the potentials of 0.54 and 0.64 V (vs. Ag/AgCl), respectively. The P1 or P2/carbon composites are also used as cathode-active materials to enhance the conductivity and durability. The electrodes exhibited good cycle life of over 50 charging/discharging cycles and no reversible n-type redox abilities seemed to be available. (C) 2015 Elsevier B.V. All rights reserved.

    DOI

  • Synthesis and Charge-Discharge Properties of Organometallic Copolymers of Ferrocene and Triphenylamine as Cathode Active Materials for Organic-Battery Applications

    Jing Xiang, Kan Sato, Hiroshi Tokue, Kenichi Oyaizu, Cheuk-Lam Ho, Hiroyuki Nishide, Wai-Yeung Wong, Mingdeng Wei

    EUROPEAN JOURNAL OF INORGANIC CHEMISTRY   2016 ( 7 ) 1030 - 1035  2016.03  [Refereed]

    　View Summary

    Two new organometallic copolymers (PVFVM1 and PVFVM1-1) bearing different molar ratios of ferrocene and triphenylamine pendants were successfully designed and synthesized as cathode active materials for organic-battery applications. Their structural and thermal characteristics were determined by H-1 NMR spectroscopy, Fourier transform infrared (FTIR) spectroscopy, size exclusion chromatography (SEC), and thermogravimetric analysis (TGA). Cyclic voltammograms of the as-prepared polymers show that the electrochemical reactions of the ferrocene and triphenylamine moieties are reversible after the first cycle. A composite electrode based on copolymer PVFVM1 exhibits an initial specific discharge capacity of 102 mAhg(-1), which corresponds to 98% of its theoretical capacity (104 mAhg(-1)). The cycle endurances for both polymers have been evaluated for over 50 cycles. Our results show that both copolymers are good candidates as a new class of cathode active materials and charge-storage materials for rechargeable batteries.

    DOI

  • Dynamic switching of ionic conductivity by cooperative interaction of polyviologen and liquid crystals for efficient charge storage

    Kan Sato, Takaaki Yamasaki, Takahiro Mizuma, Kenichi Oyaizu, Hiroyuki Nishide

    JOURNAL OF MATERIALS CHEMISTRY A   4 ( 9 ) 3249 - 3252  2016  [Refereed]

    　View Summary

    The ionic conductivity of a liquid crystal electrolyte was switched along with redox reactions of polyviologen. The surface charge of the polymer determined the alignment and the bulk conductivity of the electrolyte. The cooperative switching firstly enabled the suppression of self-discharging and quick-response, giving rise to facile and persistent charge storage.

    DOI

  • Synthesis of Poly(TEMPO-Substituted Glycidyl Ether) by Utilizing t-BuOK/18-Crown-6 for an Organic Cathode-Active Material

    Kan Sato, Takashi Sukegawa, Kenichi Oyaizu, Hiroyuki Nishide

    MACROMOLECULAR SYMPOSIA   351 ( 1 ) 90 - 96  2015.05  [Refereed]

    　View Summary

    A nitroxide radical-substituted polyether, poly(TEMPO-substituted glycidyl ether) (PTGE), was synthesized using a potassium tert-butoxide/18-crown-6 initiator. The presence of 18-crown-6 effected significant improvement in the reactivity of the chain end, thus allowing the polymerization to proceed at moderate temperatures to suppress the deactivation of the pendant nitroxide group. A high molecular-weight polyether with a theoretical radical concentration was first obtained in high yield. Charging and discharging cyclability was much improved by cross-linking, which helped the electrode-active material stay on a current collector during the electrolysis. The polymer/vapor-grown carbon nanofiber composite electrode exhibited a redox capacity comparable to the formula weight-based theoretical density over 10(3) cycles and fast charging/discharging capability up to a rate of 60C which corresponded to full charging and discharging in 60s. The redox capacity was almost maintained for a composite layer with a remarkably high polymer ratio of 90%, which demonstrated the presence of effective percolation network of the carbon nanofiber due likely to the affinity of the polyether to the carbon material.

    DOI

  • Efficient charge transport of a radical polyether/SWCNT composite electrode for an organic radical battery with high charge-storage density

    Takashi Sukegawa, Kan Sato, Kenichi Oyaizu, Hiroyuki Nishide

    RSC ADVANCES   5 ( 20 ) 15448 - 15452  2015  [Refereed]

    　View Summary

    A crosslinked poly(4-glycidyloxy TEMPO) was synthesized via anionic ring-opening copolymerization of 4-glycidyloxy TEMPO and a diglycidyl ether using a pentaerythritol/phosphazene base initiator. A fast and reversible charge storage capability was established for the polyether/SWCNT composite layer with a large layer thickness of several tens of micrometres, despite the low SWCNT content of 10% which was much closer to the percolation limit than the amount required for the previously reported TEMPO-substituted polymethacrylate.

    DOI

▼display all

Misc

  • Automated design of Li+-conducting polymer by quantum-inspired annealing

    Kan Hatakeyama-Sato, Hiroki Adachi, Momoka Umeki, Takahiro Kashikawa, Koichi Kimura, Kenichi Oyaizu

       2022.04

    Authorship：Lead author, Corresponding author

    Internal/External technical report, pre-print, etc.  

    　View Summary

    Automated molecule design by computers has been an essential topic in materials informatics. Still, generating practical structures is not easy because of the difficulty in treating material stability, synthetic difficulty, mechanical properties, and other miscellaneous parameters, often leading to the generation of junk molecules. We tackle the problem by introducing supervised/unsupervised machine learning and quantum-inspired annealing. Our autonomous molecular design system can help experimental researchers discover practical materials more efficiently. Like the human design process, new molecules are explored based on knowledge of existing compounds. A new solid-state polymer electrolyte for lithium-ion batteries is designed and synthesized, giving a promising room temperature conductivity of 10^-5 S/cm with reasonable thermal, chemical, and mechanical properties.

    DOI

  • Exploration of organic superionic glassy conductors by process and materials informatics with lossless graph database

    Kan Hatakeyama-Sato, Momoka Umeki, Hiroki Adachi, Naoaki Kuwata, Gen Hasegawa, Kenichi Oyaizu

       2022.01

    Authorship：Lead author, Corresponding author

    Internal/External technical report, pre-print, etc.  

    　View Summary

    Data-driven material exploration is a ground-breaking research style; however, daily experimental results are difficult to record, analyze, and share. We report a new data platform that losslessly describes the relationships of structures, properties, and processes as graphs in electronic laboratory notebooks. As a model project, organic superionic glassy conductors were explored by recording over 500 different experiments. Automated data analysis revealed the essential factors for a remarkable room temperature ionic conductivity of 10^−4-10^−3 S/cm and a lithium transference number of around 0.8. In contrast to previous materials research, everyone can access all the experimental results, including graphs, raw measurement data, and data processing systems, at a public repository. Direct data sharing will improve scientific communication and accelerate integration of material knowledge.

    DOI

  • 単一モデルによる多彩な材料科学データの学習技術

    畠山 歓

    マテリアルズインフォマティクスのためのデータ作成とその解析、応用事例     156 - 166  2021.07  [Invited]

    Authorship：Lead author

    Article, review, commentary, editorial, etc. (other)  

  • 材料科学における機械学習の利用と課題

    畠山 歓

    日本神経回路学会誌   28 ( 1 ) 20 - 47  2021.04  [Invited]

    Authorship：Lead author

    Article, review, commentary, editorial, etc. (scientific journal)  

  • A Generative Model for Extrapolation Prediction in Materials Informatics

    Kan Hatakeyama-Sato, Kenichi Oyaizu

    arxiv   arXiv:2103.00157  2021.02

    Authorship：Lead author, Corresponding author

  • AIを使った新規Li+伝導性ポリマーの探索

    畠山 歓

    化学と工業   73 ( 12 ) 949 - 949  2020.12

    Authorship：Lead author

    Article, review, commentary, editorial, etc. (scientific journal)  

  • AIを活用した新規イオン伝導性高分子の探索と開発

    畠山 歓, 小柳津 研一

    機能材料   ( 11 ) 33  2020.11  [Invited]

    Authorship：Lead author

  • Exploration of Li+/electron conducting polymers by machine learning

    Kan Hatakeyama, Sato

      69 ( 6 ) 288 - 289  2020.06  [Invited]

    Authorship：Lead author

  • 酸化還元活性な高分子による集合組織の動的制御

    佐藤 歓, 小柳津 研一

    化学   73   68  2018.02

▼display all

Industrial Property Rights

  • レドックスフロー電池システム

    北川 寛, 中村 健二, 世登 裕明, 中島 敦士, 小柳津 研一, 畠山 歓, 菅井 陽太

    Patent

  • 正極材および蓄電デバイス

    佐藤 康司, 小柳津 研一, 朝野 剛, 松岡 孝司, 永塚 智三, 畠山 歓, 西出 宏之

    Patent

  • ポリマー、電極活物質及び二次電池

    小柳津 研一, 西出 宏之, 畠山 歓, 鈴木 美結, 赤羽 智紀, 忰山 高大

    Patent

Works

Awards

  • 高分子研究奨励賞

    2022.03   公益社団法人 高分子学会   インフォマティクスを活用した機能性高分子の設計と電荷貯蔵デバイスでの実証

    Winner： 畠山 歓

  • 里見賞

    2021.09   里見奨学会   量子機械学習による実践材料探索に向けた基礎学理の究明

  • 若手研究者奨励賞

    2021.03   早稲田大学 理工学術院総合研究所  

    Winner： 畠山 歓

  • 里見賞

    2020.09   里見奨学会   実験者の暗黙知を織り込んだ機械学習に基づく機能性有機材料の効率探索

    Winner： 畠山 歓

  • 広報委員会パブリシティ賞

    2019.09   高分子学会   深層学習に基づくイオン・電子伝導性高分子の高精度物性予測

    Winner： 畠山 歓

  • 里見賞

    2019.09   里見奨学会   グラフ構造データの深層学習に基づく電子機能性高分子の超高速探索と合成

    Winner： 畠山 歓

  • Selected as a highlighted talk

    2019.03   Synthesis of Lithium-ion conducting polyethers assisted by machine learning

    Winner： Kan Hatakeyama-Sato, Toshiki Tezuka, Yoshinori Nishikitani, Hiroyuki Nishide, Kenichi Oyaizu

  • 水野賞

    2018.03   早稲田大学   ラジカルポリマーにおける電荷輸送の高速化と充放電デバイスへの応用

    Winner： 佐藤 歓

  • 若手優秀発表賞

    2016.06   繊維学会   ラジカルポリマー/SWNT 複合電極の作製と全有機二次電池への適用

    Winner： 佐藤 歓

  • Best Technology Award

    2014.08   Soft Power Source: A Rechargeable Battery Based on Organic Polymers and Salt Water

    Winner： Kan Sato, Dan Parkin, Ryu Katagiri, Li Mingliang, Peng Ming

  • 島﨑和雄褒賞

    2013.03   早稲田大学  

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Research Projects

  • プロセスに強いMIの創出と複合機能材料での実践

    科学技術振興機構 (JST)  創発的研究支援事業

    Project Year :

    2022.04
    -
    2029.03
     

  • 教師無し深層学習による革新有機材料の自動探索

    科学研究費助成事業  基盤研究(B)

    Project Year :

    2021.04
    -
    2025.03
     

  • -

    Japan Society for the Promotion of Science  Grants-in-Aid for Scientific Research Grant-in-Aid for Scientific Research on Innovative Areas (Research in a proposed research area)

    Project Year :

    2022.04
    -
    2024.03
     

  • デジタルアニーラの材料探索への応用に関する共同研究

    富士通 

    Project Year :

    2022.04
    -
    2023.03
     

  • ガラス状高分子イオン伝導体のダイナミクス解明と超イオン伝導化

    科学研究費助成事業  新学術領域(公募研究)

    Project Year :

    2020.04
    -
    2022.03
     

  • 量子機械学習による実践材料探索に向けた基礎学理の究明

    公益財団法人里見奨学会 研究助成

    Project Year :

    2021.04
    -
    2022.03
     

  • 実験者の暗黙知を織り込んだ機械学習に基づく機能性有機材料の効率探索

    公益財団法人里見奨学会  研究助成

    Project Year :

    2020.04
    -
    2021.03
     

  • 量子コンピューティングによる有機材料の最適構造の高速探索システムの概念実証

    早稲田大学理工学術院総合研究所  若手研究者支援事業アーリーバード

    Project Year :

    2020.04
    -
    2021.03
     

  • データ科学を援用した高出力オールプラスチック二次電池の創出

    科学研究費助成事業  若手研究

    Project Year :

    2019.04
    -
    2021.03
     

  • 実験情報のグラフ構造化と深層学習に立脚した材料物性の汎用予測システム

    電通国際情報サービス（ISID）  研究助成金

    Project Year :

    2019.12
    -
    2020.11
     

  • デジタルアニーラの材料探索への応用に関する研究

    富士通研究所  共同研究

    Project Year :

    2020.04
    -
    　
     

  • 有機・無機ハイブリッド高分子の深層学習と精密合成に基づく革新機能の創出

    公益財団法人みずほ学術振興財団  第６３回工学研究助成

    Project Year :

    2020.04
    -
    　
     

  • グラフ構造データの深層学習に基づく電子機能性高分子の超高速探索と合成

    公益財団法人里見奨学会  研究助成

    Project Year :

    2019.04
    -
    2020.03
     

  • 統計的機械学習に基づく電子機能性高分子の設計と合成

    早稲田大学理工学術院総合研究所  若手研究者支援事業アーリーバード

    Project Year :

    2019.04
    -
    2020.03
     

  • 電子とイオンを高速輸送・貯蔵する高分子固体の創製

    科学研究費助成事業  研究活動スタートアップ支援

    Project Year :

    2018.08
    -
    2020.03
     

    　View Summary

    本研究は、固体条件で電子・イオンを輸送・貯蔵可能な高分子の新規開拓と、その電気化学特性の解明を目的とする。当初の研究計画に従い、主鎖・側鎖に脂肪族エーテル、酸化還元席として2,2,6,6-テトラメチルピペリジン 1-オキシル(TEMPO)やビオロゲンを導入した酸化還元活性ポリマーを精密合成した。一連のポリマーは高分子固体条件においても迅速かつ高速に酸化還元可能であり、電子・イオン双方の輸送能を有することを明らかにした。電子伝導性の更なる向上のため、単層カーボンナノチューブとのナノ複合体も作成した。電極の大規模・均質成膜が成果集積のボトルネックと判断し、研究計画を前倒しして全自動の塗工装置を導入した。成膜した電極は新規に合成したポリイミダゾリウム系電解質フィルムと積層することで全固体有機二次電池として動作実証・評価した。"ソフト"な性質を有するポリマー電極の伸縮耐性にも着眼し、完全にストレッチャブルな部材からなる二次電池も世界で初めて報告した。試作電池の総厚はわずか1μm程度と極めて薄く、皮膚に直接密着して貼り付け可能なバイオセンサ等、全く新しい用途での電池利用が期待出来る。ナノ繊維としての超分子ネットワークを形成する酸化還元活性分子も新規に合成し、超分子ゲルからなる全有機二次電池も試作、その電気化学過程を明らかにした。高分子固体の伝導度を高精度で予測するための方法論として、機械学習モデルの利用も新規に検討した。実験情報を精確に記述可能なデータベース・モデルの適用により、低分子添加剤等を含む複雑な混合状態においても、その伝導度を高精度で予測可能なことを明らかにした。一連の成果はアメリカ化学会等の学術誌や国内外の学会での口頭発表にて報告した。平成30年度が最終年度であるため、記入しない。平成30年度が最終年度であるため、記入しない

  • レドックス活性ポリエーテルに関する研究

    ENEOS  共同研究

    Project Year :

    2019.04
    -
    　
     

  • レドックス活性ポリエーテルを正極に複合した全固体リチウム電池

    早大理工総研－ＪＸTGエネルギーＦＳ研究助成 

    Project Year :

    2018.07
    -
    2019.03
     

  • ラジカルポリマーの酸化還元を利用した集合組織の動的配向制御

    科学研究費助成事業  特別研究員(DC1)

    Project Year :

    2015.04
    -
    2018.03
     

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Presentations

  • マテリアルズ・インフォマティクスを活用したポリフェニレンエ ーテル系固体電解質の製法・構造・物性の相関解明

    畠山 歓, 梅木 桃花, 足立 裕樹, 小柳津 研一

    日本化学会第102春季年会 

    Presentation date： 2022.03

  • Organic Solid-state Ionic conductors Consisting of Charge-transfer Complexes and Lithium Salts

    Kan Hatakeyama-Sato  [Invited]

    71st Conference of Japan Society of Coordination Chemistry 

    Presentation date： 2021.09

  • 教師無し機械学習と 量子アニーリング技術を用いた分子設計システム

    畠山 歓, 梅木 桃花, 足立 裕樹, 柏川 貴弘, 木村 浩一, 小柳津 研一

    第70回高分子討論会 

    Presentation date： 2021.09

  • 高分子の多彩なプロセス・構造・物性情報を一括で処理可能なAI 技術の検討

    畠山 歓  [Invited]

    日本レオロジー学会 高分子加工技術研究会 第93回例会 

    Presentation date： 2021.07

  • 電荷移動錯体からなるリチウムイオン伝導体の作製と伝導機構の解明

    畠山 歓  [Invited]

    日本化学会第101春季年会 新学術領域研究「蓄電固体界面科学」成果報告会 

    Presentation date： 2021.03

  • 小規模な実験データベースの機械学習に基づく有機分子の物性の外挿予測モデルの構築

    畠山 歓, 小柳津 研一

    日本化学会第101回春季年会 

    Presentation date： 2021.03

  • Graph neural network to treat versatile material informatics projects

    Kan Hatakeyama-Sato  [Invited]

    Presentation date： 2021.03

  • Machine learning-assisted exploration of glassy organic electrolytes for solid-state lithium-ion batteries

    Kan Hatakeyama-Sato  [Invited]

    45th International Conference and Expo on Advanced Ceramics and Composites (ICACC2021) 

    Presentation date： 2021.02

    Event date：
    2021.02
    -
    　

  • 深層学習に基づくイオン・電子伝導性高分子の高精度な物性予測

    畠山歓  [Invited]

    高分子学会 ポリマーフロンティア21 

    Presentation date： 2020.11

  • 量子アニーリングと機械学習に基づく機能性高分子の探索システム

    畠山 歓, 梅木 桃花, 小柳津 研一

    第69回高分子討論会 

    Presentation date： 2020.09

  • 機械学習を使った機能性高分子の探索

    畠山歓  [Invited]

    高分子学会 若手の会 サマーキャンプ 

    Presentation date： 2020.08

  • 深層学習に基づくイオン・電子伝導性高分子の高精度物性予測

    畠山歓, 手塚稔季, 木村聡, 小柳津研一

    第68回高分子討論会 

    Presentation date： 2019.09

  • Radical polymer/carbon nanotube hybrids for ultra-thin, stretchable, and solid-state batteries

    Radical polymer, carbon nanotube hybrids for ultra-thin, stretchable, solid-state batteries

    Organic Battery Days 2019 

    Presentation date： 2019.06

  • レドックス活性ポリエーテルを用いたオールプラスチック二次電池

    畠山歓, 松本悟史, 小柳津研一

    第68回高分子学会年次大会 

    Presentation date： 2019.06

  • "Synthesis of Lithium-ion conducting polyethers assisted by machine learning"

    Kan Hatakeyama-Sato, Toshiki Tezuka, Yoshinori Nishikitani, Hiroyuki, Nishide, Kenichi Oyaizu

    日本化学会第99回春季年会 

    Presentation date： 2019.03

  • TEMPO-substituted polymers for stretchable and solid-state rechargeable devices

    20180913

    Presentation date： 2018.09

  • Facile charge transport in a radical polymer/SWNT hybrid providing a high current density over 1 A/cm2

    Kan Hatakeyama-Sato, Hisato Wakamatsu, Hiroyuki Nishide, Kenichi Oyaizu  [Invited]

    Organic battery days 

    Presentation date： 2018.06

  • TEMPO置換ポリマー/カーボンナノチューブ電極からなる全有機フレキシブル二次電池

    佐藤歓, 西出宏之, 小柳津研一

    第66回高分子討論会 

    Presentation date： 2017.09

  • Physical Diffusion-cooperated Redox Mediation by Non-conjugated Organic Polymers and Macromolecular Complexes

    Kan Sato, Hiroyuki Nishide, Kenichi Oyaizu

    17th IUPAC International Symposium on MacroMolecular Complexes 

    Presentation date： 2017.08

  • ラジカルポリマーの酸化還元によるスメクチック液晶電解液の協同的な配向スイッチング

    佐藤歓, 西出宏之, 小柳津研一

    第66回高分子学会年次大会 

    Presentation date： 2017.05

  • Charge transport kinetics in a robust radical-substituted polymer/nanocarbon composite electrode

    Kan Sato, Kenichi Oyaizu, Hiroyuki Nishide

    APS March Meeting 2017 

    Presentation date： 2017.03

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Specific Research

  • 深層強化学習を用いたイオン伝導性高分子の仮想探索と実験実証

    2021   小柳津 研一

    　View Summary

    機械学習を活用した実践的な分子設計の手法確立を最終目標に、深層強化学習アルゴリズムによるイオン伝導性高分子の新規創出に取り組んだ。教師有り機械学習を用い、分子構造から実測のイオン伝導度を予測するモデルを構築した後、当該物性を高める分子構造を深層強化学習によって仮想探索した。合成難度や各種安定性を始めとする実践的な抽出指標を組み込むため、教師無し機械学習による探索ポテンシャルの自動構築も検討した。仮想探索された高分子は実際に有機合成し、伝導体として予想に近い物性を発揮することを明らかにした。本成果は高分子討論会(2021年秋)で発表したほか、査読付き学術論文誌に投稿した。

  • 酸化還元活性な高分子と無機酸化物界面の精密設計に基づく高速電荷輸送と貯蔵

    2020   小柳津研一

    　View Summary

    可逆な酸化還元活性を示す2,2,6,6-テトラメチルピペリジン-1-オキシルラジカルやフルオフラビンを側鎖に高密度で導入した高分子群を新規に合成した。リン酸鉄リチウムなどと複合した電極を作製後、リチウムイオン電池の正極として評価した。酸化還元電位や界面での複合状態を最適化することで、電極の高出力化と高エネルギー密度化を両立できることが分かった。研究成果はアメリカ化学会のACS Energy LettersやWileyのMacromolecular Rapid Communicationsに報告した。

  • TEMPO置換ポリエーテルと酸化物活物質間の電子移動に基づく高密度電荷貯蔵

    2018  

    　View Summary

    可逆な酸化還元活性を示す2,2,6,6-テトラメチルピペリジン 1-オキシル(TEMPO)を高い密度で側鎖として導入した脂肪族ポリエーテル類を精密合成し、バルク・ヘテロ界面の電子移動の解明に焦点を置きながら電極活物質としての基礎物性を明らかにした。一連の研究成果は国際会議(Organic battery days)での口頭発表に加え、学術誌(Small,ACS Applied Polymer Materials等)に報告した。

 

Syllabus

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Teaching Experience

  • マテリアルズインフォマティクス

  • 上級有機化学

  • 高分子化学

 

Committee Memberships

  • 2018.04
    -
    Now

    高分子学会 関東若手研究会 世話人

Media Coverage

  • MIが材料の合成プロセスをも予測 ネット上の各種データで精度向上

    Newspaper, magazine

    日経エレクトロニクス11月号  

    2020.10

  • 新材料開発、AIが熟練者に肉薄

    Newspaper, magazine

    2020.10

  • 熟練の材料研究者に迫るAI、Wikipediaでもさら に賢く

    Internet

    ⽇経クロステック  

    2020.09

  • 複数の化学データ 1つのAIで予測

    Newspaper, magazine

    日本経済新聞  

    2020.08

  • 多彩な材料データ 単一ＡＩ同時学習 早大

    Newspaper, magazine

    化学工業日報  

    2020.07

  • 材料情報 単一ＡＩで学習 早大 広範囲ＤＢ 共通書式化

    Newspaper, magazine

    日刊工業新聞  

    2020.07

  • 早大、単一のAIに多彩な材料科学データを学習させる手法を開発

    Internet

    日本経済新聞電子版  

    2020.07

  • 高分子材料 数秒で構造予測

    Newspaper, magazine

    日経産業新聞  

    2019.06

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Academic Activities