Hokkaido University

Institute for Chemical Reaction Design and Discovery

2025年

• A Nearly Perfect Icosahedral Ir@Au₁₂ Superatom with Superior Photoluminescence Obtained by Ligand Engineering
  K. Mutoh, T. Yahagi, S. Takano, S. Kawakita, T. Iwasa, T. Taketsugu, T. Tsukuda, T. Nakashima, Chem. Sci., 2025, ,
  DOI: 10.1039/d5sc00561b
  

2024年

• Optical Force and Torque in Near-Field Excitation of C₃H6: A First-Principles Study Using RT-TDDFT
  R. Amano, D. Nishizawa, T. Taketsugu, T. Iwasa, J. Chem. Phys., 2024, 161(12), 124110
  DOI: 10.1063/5.0223371
  
• Near-Field Induced Local Excitation Dynamics of Na10 and Na10-N2 from Real-Time TDDFT
  D. Nishizawa, R. Amano, T. Taketsugu, T. Iwasa, J. Chem. Phys., 2024, 161(5), 054309
  DOI: 10.1063/5.0211353
  
• Generalized Transition Moment and Oscillator Strength for Optimal Control of Excited States Using Near-Field Light
  T. Iwasa, Journal of Physical Chemistry Letters, 2024, 15(18), 4775-4781
  DOI: 10.1021/acs.jpclett.4c00609
  

2023年

• Key Factors for Connecting Silver-Based Icosahedral Superatoms by Vertex Sharing
  S. Miyajima, S. Hossain, A. Ikeda, T. Kosaka, T. Kawawaki, Y. Niihori, T. Iwasa, T. Taketsugu, Y. Negishi, Communications Chemistry, 2023, 6, Article number: 57
  DOI: 10.1038/s42004-023-00854-0
  

2022年

• Excited States of Metal-Adsorbed Dimethyl Disulfide: A TDDFT Study with Cluster Model
  K. Toda, Y. Hirose, E. Kazuma, Y. Kim, T. Taketsugu, T. Iwasa, J. Phys. Chem. A, 2022, 126, 4191-4198
  DOI: 10.1021/acs.jpca.2c023544191
  
• Doping-Mediated Energy-Level Engineering of M@Au-12 Superatoms (M=Pd, Pt, Rh, Ir) for Efficient Photoluminescence and Photocatalysis
  H. Hirai, S. Takano, T. Nakashima, T. Iwasa, T. Taketsugu, T. Tsukuda, Angew. Chem., Int. Ed., 2022, 61,
  DOI: 10.1002/anie.202207290
  

2021年

• Barium Oxide Encapsulating Cobalt Nanoparticles Supported on Magnesium Oxide: Active Non-Noble Metal Catalysts for Ammonia Synthesis under Mild Reaction Conditions
  K. Sato, S. Miyahara, K. Tsujimaru, Y. Wada, T. Toriyama, T. Yamamoto, S. Matsumura, K. Inazu, H. Mohri, T. Iwasa, T. Taketsugu, K. Nagaoka, Acs Catalysis, 2021, 11, 13050-13061
  DOI: 10.1021/acscatal.1c02887
  
• Structural Characterization of Nickel-Doped Aluminum Oxide Cations by Cryogenic Ion Trap Vibrational Spectroscopy
  Y. K. Li, M. C. Babin, S. Debnath, T. Iwasa, S. Kumar, T. Taketsugu, K. R. Asmis, A. Lyalin, D. M. Neumark, J. Phys. Chem. A, 2021, 125, 9527-9535
  DOI: 10.1021/acs.jpca.1c07156
  
• A Comparative Study of Structural, Electronic, and Optical Properties of Thiolated Gold Clusters with Icosahedral vs Face-Centered Cubic Cores
  M. Miyamoto, T. Taketsugu, T. Iwasa, J. Chem. Phys., 2021, 155,
  DOI: 10.1063/5.0057566
  
• Single-Molecule Laser Nanospectroscopy with Micro-Electron Volt Energy Resolution
  H. Imada, M. Imai-Imada, K. Miwa, H. Yamane, T. Iwasa, Y. Tanaka, N. Toriumi, K. Kimura, N. Yokoshi, A. Muranaka, M. Uchiyama, T. Taketsugu, Y. K. Kato, H. Ishihara, Y. Kim, Science, 2021, 373, 95-+
  DOI: 10.1126/science.abg8790
  
• Ag23Pd2(PPh3)(10)Cl-7 (0): A New Family of Synthesizable Bi-Icosahedral Superatomic Molecules
  S. Hossain, S. Miyajima, T. Iwasa, R. Kaneko, T. Sekine, A. Ikeda, T. Kawawaki, T. Taketsugu, Y. Negishi, J. Chem. Phys., 2021, 155,
  DOI: 10.1063/5.0057005
  
• Theoretical Method for Near-Field Raman Spectroscopy with Multipolar Hamiltonian and Real-Time-TDDFT: Application to On- and Off-Resonance Tip-Enhanced Raman Spectroscopy
  M. Takenaka, T. Taketsugu, T. Iwasa, J. Chem. Phys., 2021, 154, 14
  DOI: 10.1063/5.0034933
  
• Effects of Support Materials and Ir Loading on Catalytic N2O Decomposition Properties
  S. Hinokuma, T. Iwasa, Y. Kon, T. Taketsugu, K. Sato, Catalysis Communications, 2021, 149,
  DOI: 10.1016/j.catcom.2020.106208
  

2020年

• Ammonia Combustion Properties of Copper Oxides-Based Honeycomb and Granular Catalysts
  S. Hinokuma, T. Iwasa, K. Araki, Y. Kawabata, S. Matsuki, T. Sato, Y. Kon, T. Taketsugu, K. Sato, M. Machida, Journal of the Japan Petroleum Institute, 2020, 63, 274-281
  DOI: 10.1627/jpi.63.274
  
• Single-Molecule Resonance Raman Effect in a Plasmonic Nanocavity
  RB. Jaculbia, H. Imada, K. Miwa, T. Iwasa, M. Takenaka, B. Yang, E. Kazuma, N. Hayazawa, T. Taketsugu, Y. Kim, Nat. Nanotechnol., 2020, 15, 105-110
  DOI: 10.1038/s41565-019-0614-8
  
• N2O Decomposition Properties of Ru Catalysts Supported on Various Oxide Materials and SnO2
  S. Hinokuma, T. Iwasa, Y. Kon, T. Taketsugu, K. Sato, Scientific Reports, 2020, 10,
  DOI: 10.1038/s41598-020-78744-x
  
• Photoinduced Pyramidal Inversion Behavior of Phosphanes Involved with Aggregation-Induced Emission Behavior
  T. Machida, T. Iwasa, T. Taketsugu, K. Sada, K. Kokado, Chem. Eur. J., 2020, 26, 8028-8034
  DOI: 10.1002/chem.202000264
  
• Combined Computational Quantum Chemistry and Classical Electrodynamics Approach for Surface Enhanced Infrared Absorption Spectroscopy
  M. Takenaka, T. Taketsugu, T. Iwasa, J. Chem. Phys., 2020, 152, 8
  DOI: 10.1063/1.5143855
  

2019年

• Low-Lying Excited States of HqxcH and Zn-Hqxc Complex: Toward Understanding Intramolecular Proton Transfer Emission
  M. Ebina, Y. Kondo, T. Iwasa, T. Taketsugu, Inorg. Chem., 2019, 58, 4686-4698
  DOI: 10.1021/acs.inorgchem.9b00410
  
• Combined Automated Reaction Pathway Searches and Sparse Modeling Analysis for Catalytic Properties of Lowest Energy Twins of Cu₁₃
  T. Iwasa, T. Sato, M. Takagi, M. Gao, A. Lyalin, M. Kobayashi, K. Shimizu, S. Maeda, T. Taketsugu, J. Phys. Chem. A, 2019, 123, 210-217
  DOI: 10.1021/acs.jpca.8b08868
  
• Photoluminescence Properties of [Core plus exo]-Type Au-6 Clusters: Insights into the Effect of Ligand Environments on the Excitation Dynamics
  Y. Shichibu, MZ. Zhang, T. Iwasa, Y. Ono, T. Taketsugu, S. Omagari, T. Nakanishi, Y. Hasegawa, K. Konishi, J. Phys. Chem. C, 2019, 123, 6934-6939
  DOI: 10.1021/acs.jpcc.9b01810
  
• Roles of Silver Nanoclusters in Surface-Enhanced Raman Spectroscopy
  T. Tsuneda, T. Iwasa, T. Taketsugu, J. Chem. Phys., 2019, 151, 094102
  DOI: 10.1063/1.5111944