About the Research
Research Theme
Interaction between localized light and molecules and Excited states
Keyword
Near-field spectroscopy and dynamics, Optical response theory, Cluster compounds
Representative Research Achievements
- Single-molecule resonance Raman effect in a plasmonic nanocavity
R. B. 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 - 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 - First principles calculations toward understanding SERS of 2,2′-bipyridyl adsorbed on Au, Ag and Au-Ag alloy
M. Takenaka, Y. Hashimoto, T. Iwasa*, T. Taketsugu, G. Seniutinas, A. Balčytis, S. Juodkazise, Y. Nishijima*, J. Comput. Chem., 2019, 40, 925-932
DOI: 10.1002/jcc.25603 - Time-Dependent Density Functional Theory Study on Higher Low-Lying Excited States of Au25(SR)18–
M. Ebina, T. Iwasa*, Y. Harabuchi, T. Taketsugu*, J. Phys. Chem. C, 2018, 122, 4097-4104
DOI: 10.1021/acs.jpcc.7b12723 - Generalized theoretical method for the interaction between arbitrary nonuniform electric field and molecular vibrations: Toward near-field infrared spectroscopy and microscopy
T. Iwasa*, M. Takenaka, and T. Taketsugu, J. Chem. Phys., 2016, 144, 124116 [8 pages]
DOI: 10.1063/1.4944937
Related Research
- Single-molecule nanospectroscopy
- A joint research project with Riken researchers has been published in Nature Nanotechnology
Publications
2024
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Optical Force and Torque in Near-Field Excitation of C3H6: A First-Principles Study Using RT-TDDFT
, D. Nishizawa, T. Taketsugu, T. Iwasa, J. Chem. Phys., 2024, 161(12), 124110
DOI: 10.1063/5.0223371
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Near-Field Induced Local Excitation Dynamics of Na10 and Na10-N2 from Real-Time TDDFT
, R. Amano, T. Taketsugu, T. Iwasa, J. Chem. Phys., 2024, 161(5), 054309
DOI: 10.1063/5.0211353
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Generalized Transition Moment and Oscillator Strength for Optimal Control of Excited States Using Near-Field Light
, Journal of Physical Chemistry Letters, 2024, 15(18), 4775-4781
DOI: 10.1021/acs.jpclett.4c00609
2023
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Key Factors for Connecting Silver-Based Icosahedral Superatoms by Vertex Sharing
, 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
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Excited States of Metal-Adsorbed Dimethyl Disulfide: A TDDFT Study with Cluster Model
, Y. Hirose, E. Kazuma, Y. Kim, T. Taketsugu, T. Iwasa, J. Phys. Chem. A, 2022, 126, 4191-4198
DOI: 10.1021/acs.jpca.2c023544191
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Doping-Mediated Energy-Level Engineering of M@Au-12 Superatoms (M=Pd, Pt, Rh, Ir) for Efficient Photoluminescence and Photocatalysis
, S. Takano, T. Nakashima, T. Iwasa, T. Taketsugu, T. Tsukuda, Angew. Chem., Int. Ed., 2022, 61,
DOI: 10.1002/anie.202207290
2021
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Barium Oxide Encapsulating Cobalt Nanoparticles Supported on Magnesium Oxide: Active Non-Noble Metal Catalysts for Ammonia Synthesis under Mild Reaction Conditions
, 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
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Structural Characterization of Nickel-Doped Aluminum Oxide Cations by Cryogenic Ion Trap Vibrational Spectroscopy
, 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
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A Comparative Study of Structural, Electronic, and Optical Properties of Thiolated Gold Clusters with Icosahedral vs Face-Centered Cubic Cores
, T. Taketsugu, T. Iwasa, J. Chem. Phys., 2021, 155,
DOI: 10.1063/5.0057566
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Single-Molecule Laser Nanospectroscopy with Micro-Electron Volt Energy Resolution
, 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
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Ag23Pd2(PPh3)(10)Cl-7 (0): A New Family of Synthesizable Bi-Icosahedral Superatomic Molecules
, 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
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Theoretical Method for Near-Field Raman Spectroscopy with Multipolar Hamiltonian and Real-Time-TDDFT: Application to On- and Off-Resonance Tip-Enhanced Raman Spectroscopy
, T. Taketsugu, T. Iwasa, J. Chem. Phys., 2021, 154, 14
DOI: 10.1063/5.0034933
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Effects of Support Materials and Ir Loading on Catalytic N2O Decomposition Properties
, T. Iwasa, Y. Kon, T. Taketsugu, K. Sato, Catalysis Communications, 2021, 149,
DOI: 10.1016/j.catcom.2020.106208
2020
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Ammonia Combustion Properties of Copper Oxides-Based Honeycomb and Granular Catalysts
, 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
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Single-Molecule Resonance Raman Effect in a Plasmonic Nanocavity
, 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
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N2O Decomposition Properties of Ru Catalysts Supported on Various Oxide Materials and SnO2
, T. Iwasa, Y. Kon, T. Taketsugu, K. Sato, Scientific Reports, 2020, 10,
DOI: 10.1038/s41598-020-78744-x
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Photoinduced Pyramidal Inversion Behavior of Phosphanes Involved with Aggregation-Induced Emission Behavior
, T. Iwasa, T. Taketsugu, K. Sada, K. Kokado, Chem. Eur. J., 2020, 26, 8028-8034
DOI: 10.1002/chem.202000264
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Combined Computational Quantum Chemistry and Classical Electrodynamics Approach for Surface Enhanced Infrared Absorption Spectroscopy
, T. Taketsugu, T. Iwasa, J. Chem. Phys., 2020, 152, 8
DOI: 10.1063/1.5143855
2019
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Low-Lying Excited States of HqxcH and Zn-Hqxc Complex: Toward Understanding Intramolecular Proton Transfer Emission
, Y. Kondo, T. Iwasa, T. Taketsugu, Inorg. Chem., 2019, 58, 4686-4698
DOI: 10.1021/acs.inorgchem.9b00410
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Combined Automated Reaction Pathway Searches and Sparse Modeling Analysis for Catalytic Properties of Lowest Energy Twins of Cu13
, 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
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Photoluminescence Properties of [Core plus exo]-Type Au-6 Clusters: Insights into the Effect of Ligand Environments on the Excitation Dynamics
, 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
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Roles of Silver Nanoclusters in Surface-Enhanced Raman Spectroscopy
, T. Iwasa, T. Taketsugu, J. Chem. Phys., 2019, 151, 094102
DOI: 10.1063/1.5111944