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RESEARCH PAPER · The Journal of Physical Chemistry C · 2021

Electronic Origin of Catalytic Activity of TiH 2 for Ammonia Synthesis

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Electronic Origin of Catalytic Activity of TiH 2 for Ammonia SynthesisOriginalSurface activation by electron scavenger metal nanorod adsorption on TiH 2 , TiC, TiN, and Ti 2 O 311Exploring Metal Cluster Catalysts Using Swarm Intelligence: Start with Hydrogen Adsorption5Surface Properties of the Hydrogen–Titanium System28Propane Dehydrogenation Catalysis of Titanium Hydrides: Positive Effect of Hydrogen Co-feeding5Hydrides mediate nitrogen fixation31Catalytic Performance and Near-Surface X-ray Characterization of Titanium Hydride Electrodes for the Electrochemical Nitrate Reduction Reaction81Bulk Thermodynamics Determines Surface Hydrogen Concentration in Membranes6Bond activation and formation on inorganic surfaces0Oxidative Addition of Methane and Reductive Elimination of Ethane and Hydrogen on Surfaces: From Pure Metals to Single Atom Alloys14Exploring the Optimal Alloy for Nitrogen Activation by Combining Bayesian Optimization with Density Functional Theory Calculations14Theoretical Study of Surface Reactions from a Molecular Science Perspective0Anionic Defects Enhanced Ammonia Synthesis Over Ru Catalyst Supported on Barium Niobate Reduced with CaH27Exploring Metal Nanocluster Catalysts for Ammonia Synthesis Using Informatics Methods: A Concerted Effort of Bayesian Optimization, Swarm Intelligence, and First-Principles Computation10Propane dehydrogenation catalysis of group IIIB and IVB metal hydrides1Reaction path search for propane dehydrogenation and metathesis on titanium hydride3Enhanced hydrogen storage performance of Mg(BH4)2 with in-situ generated TiO2 and TiH2 catalysts25Anion-Controlled Inorganic Materials as Catalysts for Small-Molecule Conversion Reactions8Atomically Dispersed Mn Synergized With LiBaH 3 on MgO Enables Efficient Ammonia Synthesis via an H − Assisted N 2 Dissociation Mechanism0Atomically Dispersed Mn Synergized With LiBaH 3 on MgO Enables Efficient Ammonia Synthesis via an H − Assisted N 2 Dissociation Mechanism1Hydrogenation of MAX Phase Materials and Catalytic Activity in Ammonia Synthesis0

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  1. Surface activation by electron scavenger metal nanorod adsorption on TiH 2 , TiC, TiN, and Ti 2 O 3

    Physical Chemistry Chemical Physics · 2021-01-01

    Yoyo Hinuma, Shinya Mine, Takashi Toyao, Zen Maeno, Ken‐ichi Shimizu

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  2. Exploring Metal Cluster Catalysts Using Swarm Intelligence: Start with Hydrogen Adsorption

    Topics in Catalysis · 2021-10-01

    Yuta Tsuji, Yuta Yoshioka, Mikiya Hori, Kazunari Yoshizawa

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  3. Surface Properties of the Hydrogen–Titanium System

    The Journal of Physical Chemistry C · 2021-11-09

    Emanuel R. Billeter, Zbigniew Łodziana, Andreas Borgschulte

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  4. Propane Dehydrogenation Catalysis of Titanium Hydrides: Positive Effect of Hydrogen Co-feeding

    Chemistry Letters · 2021-12-06

    Shunsaku Yasumura, Yuxiang Wen, Takashi Toyao, Yasuharu Kanda, Ken‐ichi Shimizu, Zen Maeno

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  5. Hydrides mediate nitrogen fixation

    Cell Reports Physical Science · 2022-02-22

    Qianru Wang, Yeqin Guan, Jianping Guo, Ping Chen

    Read original paper ↗ ·
  6. Catalytic Performance and Near-Surface X-ray Characterization of Titanium Hydride Electrodes for the Electrochemical Nitrate Reduction Reaction

    Journal of the American Chemical Society · 2022-03-22

    Matthew Junjie Liu, Jinyu Guo, Adam S. Hoffman, Joakim Halldin Stenlid, Michael T. Tang, Elizabeth R. Corson, Kevin H. Stone, Frank Abild‐Pedersen, Simon R. Bare, William Abraham Tarpeh

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  7. Bulk Thermodynamics Determines Surface Hydrogen Concentration in Membranes

    Advanced Materials Interfaces · 2022-07-17

    Emanuel R. Billeter, Selim Kazaz, Andreas Borgschulte

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  8. Bond activation and formation on inorganic surfaces

    Elsevier eBooks · 2022-09-24

    Yuta Tsuji

    Read original paper ↗ ·
  9. Oxidative Addition of Methane and Reductive Elimination of Ethane and Hydrogen on Surfaces: From Pure Metals to Single Atom Alloys

    Journal of the American Chemical Society · 2022-09-26

    Yuta Tsuji, Masataka Yoshida, Takashi Kamachi, Kazunari Yoshizawa

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  10. Exploring the Optimal Alloy for Nitrogen Activation by Combining Bayesian Optimization with Density Functional Theory Calculations

    ACS Omega · 2022-11-30

    Kazuki Okazawa, Yuta Tsuji, Keita Kurino, Masataka Yoshida, Yoshifumi Amamoto, Kazunari Yoshizawa

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  11. Theoretical Study of Surface Reactions from a Molecular Science Perspective

    Molecular Science · 2023-01-01

    Yuta Tsuji

    Read original paper ↗ ·
  12. Anionic Defects Enhanced Ammonia Synthesis Over Ru Catalyst Supported on Barium Niobate Reduced with CaH2

    Catalysis Letters · 2023-07-04

    Yushi Zhao, Jia Huang, Mingwei Yuan, Xiaozhong Li, Yan Wang, Mengwei Li, Jinjun Li, Zhixiong You

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  13. Exploring Metal Nanocluster Catalysts for Ammonia Synthesis Using Informatics Methods: A Concerted Effort of Bayesian Optimization, Swarm Intelligence, and First-Principles Computation

    ACS Omega · 2023-08-07

    Yuta Tsuji, Yuta Yoshioka, Kazuki Okazawa, Kazunari Yoshizawa

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  14. Propane dehydrogenation catalysis of group IIIB and IVB metal hydrides

    RSC Advances · 2024-01-01

    Xiaoming Hu, Mengwen Huang, Tetsuya Kinjo, Shinya Mine, Takashi Toyao, Yoyo Hinuma, Masaaki Kitano, Toyoto Sato, Norikazu Namiki, Ken‐ichi Shimizu, Zen Maeno

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  15. Reaction path search for propane dehydrogenation and metathesis on titanium hydride

    Chemistry Letters · 2024-06-01

    Takumi Miyakage, Shunsaku Yasumura, Mengwen Huang, Takashi Toyao, Zen Maeno, Ken‐ichi Shimizu

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  16. Enhanced hydrogen storage performance of Mg(BH4)2 with in-situ generated TiO2 and TiH2 catalysts

    Chemical Engineering Journal · 2025-04-10

    Zhenxuan Ma, Jiaguang Zheng, Ao Xia, Qingbo Zhang, Meiling Lv, Cong Li, Panpan Zhou

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  17. Anion-Controlled Inorganic Materials as Catalysts for Small-Molecule Conversion Reactions

    ACS Applied Materials & Interfaces · 2025-04-17

    Megumi Okazaki, Yuta Tsuji, Daisuke Tanaka, Hiroshi Kageyama, Kazuhiko Maeda

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  18. Atomically Dispersed Mn Synergized With LiBaH 3 on MgO Enables Efficient Ammonia Synthesis via an H − Assisted N 2 Dissociation Mechanism

    Angewandte Chemie · 2026-05-15

    Yanbo Deng, Yaoqi Huang, Yongcheng Jin, Yue Wang, Runze Wang, Sheng Feng, Yongli Cai, Yeqin Guan, Qianru Wang, Xilun Zhang, Fei Chang, Shaojun Yuan, Gao W, Jianping Guo, P Chen

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  19. Atomically Dispersed Mn Synergized With LiBaH 3 on MgO Enables Efficient Ammonia Synthesis via an H − Assisted N 2 Dissociation Mechanism

    Angewandte Chemie International Edition · 2026-05-15

    Yanbo Deng, Yaoqi Huang, Yongcheng Jin, Yue Wang, Runze Wang, Sheng Feng, Yongli Cai, Yeqin Guan, Qianru Wang, Xilun Zhang, Fei Chang, Shaojun Yuan, Gao W, Jianping Guo, P Chen

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  20. Hydrogenation of MAX Phase Materials and Catalytic Activity in Ammonia Synthesis

    ChemCatChem · 2026-08-01

    Marcell Toth, Nikita Kudriavykh, Walid Al Maksoud, Rohit Kumar Rai, José Daniel Gouveia, Maxim Avdeev, José R. B. Gomes, Yoji Kobayashi

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