Kogakuin University School of Advanced Engineering Department of Environmental Chemistry and Chemical Engineering
Catalytic Chemistry, 規則性ナノ空間、多核金属種、金属ヒドリド、C-H活性化、C1ケミストリー
Kyoto University Institute for Liberal Arts and Sciences
Machine Discovery, 機械学習, データマイニング, データ駆動科学, 離散構造, モデル化, 列挙アルゴリズム, バイオインフォマティクス, ケモインフォマティクス, マテリアルズインフォマティクス
Research theme for competitive and other funds (6):
2021 - 2024 Surface hydrogen engineering: First-principles calculations of spillover hydrogen and demonstration of quantum tunneling effect
2021 - 2024 表面水素工学の学理構築と活用に関する研究総括
2018 - 2021 Identification of factors that determine the ionization potential and building a database toward development of novel photocatalyst materials
2017 - 2021 Creation of superionic conductors
2015 - 2017 Development of a computational approach for accurate prediction of material properties and its application to the search for novel photovoltaic materials
2014 - 2016 First-principles design and screening of photoabsorber materials for next generation photovoltaics
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Papers (61):
Nobutsugu Hamamoto, Takakazu Kawahara, Ryoto Hagiwara, Kohei Matsuo, Kodai Matsukawa, Yoyo Hinuma, Takashi Toyao, Ken-Ichi Shimizu, Takashi Kamachi. Effect of the surface morphology of alkaline-earth metal oxides on the oxidative coupling of methane. Science and Technology of Advanced Materials. 2024. 26. 1
Shin Kiyohara, Yoyo Hinuma, Fumiyasu Oba. Band Alignment of Oxides by Learnable Structural-Descriptor-Aided Neural Network and Transfer Learning. Journal of the American Chemical Society. 2024. 146. 14. 9697-9708
Xiaoming Hu, Mengwen Huang, Tetsuya Kinjyo, Shinya Mine, Takashi Toyao, Yoyo Hinuma, Masaaki Kitano, Toyoto Sato, Norikazu Namiki, Ken-ichi Shimizu, et al. Propane dehydrogenation catalysis of group IIIB and IVB metal hydrides. RSC Advances. 2024. 14. 32. 23459-23465
Shunsaku Yasumura, Takashi Kamachi, Takashi Toyao, Ken-ichi Shimizu, Yoyo Hinuma. Prediction of Stable Surfaces of Metal Oxides through the Unsaturated Coordination Index. ACS Omega. 2023
Kohei Tada, Yoyo Hinuma, Satoshi Ichikawa, Shingo Tanaka. Investigation of the Interaction Between Au and Brookite TiO2 Using Transmission Electron Microscopy and Density Functional Theory. Bulletin of the Chemical Society of Japan. 2023. 96. 4. 373-380
蒲池高志, 蒲池高志, 濱本信次, 巽俊暢, 高尾基史, 鳥屋尾隆, 鳥屋尾隆, 日沼洋陽, 前野禅, 高草木達, et al. Frontier Orbital Theory of Molecular Adsorption on TiO2 Surface. 日本化学会春季年会講演予稿集(Web). 2022. 102nd
Shinya Mine, Takashi Toyao, Yoyo Hinuma, Ken Ichi Shimizu. Understanding and controlling the formation of surface anion vacancies for catalytic applications. Catalysis Science and Technology. 2022
濱本信次, 巽俊暢, 高尾基史, 鳥屋尾隆, 鳥屋尾隆, 日沼洋陽, 前野禅, 高草木達, 古川森也, 古川森也, et al. Frontier Orbital Theory of Molecular Adsorption on TiO<sub>2</sub> Surface. 分子科学討論会講演プログラム&要旨(Web). 2021. 15th
日沼洋陽, 清水研一, 蒲池高志. Design of Catalyst Support Ceramics through Theoretical Calculations. セラミックス. 2021. 56. 10