Department of Chemical System Engineering, Graduate School of Engineering, The University of Tokyo
Publications
2023
Dimethyl carbonate synthesis from CO2 and methanol over CeO2: Elucidating the surface intermediates and oxygen vacancy-assisted reaction mechanism D. Stoian, T. Sugiyama, A. Bansode, F. Medina, W. van Beek, J. Hasegawa, A. Nakayama, and A. Urakawa Chem. Sci. (in press). DOI: 10.1039/d3sc04466a
Adsorption behavior of atmospheric CO2 with/without water vapor on CeO2 surface M. Akatsuka, A. Nakayama, and M. Tamura Appl. Catal. B Environ. (in press). DOI: 10.1016/j.apcatb.2023.123538
Comparative Study between 2-Furonitrile and 2-Cyanopyridine as Dehydrants in Direct Synthesis of Dialkyl Carbonates from CO2 and Alcohols over Cerium Oxide Catalyst W. Sun, P. Li, M. Yabushita, Y. Nakagawa, Y. Wang, A. Nakayama, and K. Tomishige ChemSusChem (in press). DOI: 10.1002/cssc.202300768
Analysis of Al Site-Directing Ability of Organic Structure-Directing Agents in FER and CHA Zeolites: A Computational Exploration of Energetic Preferences K. Oishi, K. Muraoka, and A. Nakayama Chem. Comm. 59, 8953-8956 (2023). DOI: 10.1039/D3CC01779F
Continuous Flow Synthesis of 2-Imidazolidinone from Ethylenediamine Carbamate in Ethylenediamine Solvent over the CeO2 Catalyst: Insights into Catalysis and Deactivation R. Fujii, M. Yabushita, D. Asada, M. Tamura, Y. Nakagawa, A. Takahashi, A. Nakayama, and K. Tomishige ACS Catal. 13, 1562-1573 (2023). DOI: 10.1021/acscatal.2c05721
2022
Density Functional Theory Study of Deoxydehydration Reaction by TiO2-Supported Monomeric and Dimeric Molybdenum Oxide Catalysts D. Asada, T. Ikeda, K. Muraoka, Y. Nakagawa, K. Tomishige, and A. Nakayama J. Phys. Chem. C 126, 20375-20387 (2022). DOI: 10.1021/acs.jpcc.2c06018
Reaction Mechanism of Deoxydehydration by Ceria-Supported Monomeric Rhenium Catalysts: A Computational Study R. Hosaka, D. Asada, J. Cao, M. Tamura, Y. Nakagawa, K. Tomishige, J. Hasegawa, and A. Nakayama J. Phys. Chem. C 126, 11566-11573 (2022). DOI: 10.1021/acs.jpcc.2c02944
Thermally Activated Delayed Fluorescence of Carbazole-Benzophenone Dendrimer with Bulky Substituents K. Albrecht, E. Hisamura, M. Furukori, Y. Nakayama, T. Hosokai, K. Nakao, H. Ikebe, and A. Nakayama Polym. Chem. 13, 2277-2284 (2022). DOI: 10.1039/D2PY00255H
Deoxydehydration of Biomass-derived Polyols over Silver-modified Ceria-supported Rhenium Catalyst with Molecular Hydrogen K. Yamaguchi, J. Cao, M. Betchaku, Y. Nakagawa, M. Tamura, A. Nakayama, M. Yabushita, and K. Tomishige ChemSusChem 15, e202102663 (2022). DOI: 10.1002/cssc.202102663
Collective bath coordinate mapping of “hierarchy” in hierarchical equations of motion T. Ikeda and A. Nakayama J. Chem. Phys. 156, 104104 (2022). DOI: 10.1063/5.0082936
Ab Initio Molecular Dynamics Simulations for Adsorption Structures of Picolinic Acid at the Water/CeO2 Interface T. Seki, K. Takeda, and A. Nakayama J. Phys. Chem. C 126, 3404–3410 (2022). DOI: 10.1021/acs.jpcc.1c10005
Heterogeneous Enantioselective Hydrogenation of Ketones by 2-Amino-2′-Hydroxy-1,1′-Binaphthyl-modified CeO2-supported Ir nanoclusters M. Tamura, N. Hayashigami, A. Nakayama, Y. Nakagawa, and K. Tomishige ACS Catal. 12, 868-876 (2022). DOI: 10.1021/acscatal.1c04427
2021
Organic Compound Modification of CeO2 and 2-Cyanopyridine Hybrid Catalyst in Carbonate Synthesis from CO2 and Alcohols M. Tamura, D. Hiwatashi, Y. Gu, A. Nakayama, Y. Nakagawa, and K. Tomishige J. CO2 Util. 54, 101744 (2021). DOI: 10.1016/j.jcou.2021.101744
Guaiacol Hydrodeoxygenation over Iron-Ceria Catalysts with Platinum Single Atom Alloy Clusters as Promoter C. Li, Y. Nakagawa, M. Yabushita, A. Nakayama, and K. Tomishige ACS Catal. 11, 11794-12814 (2021). DOI: 10.1021/acscatal.1c03539
Hydrogen Atom Abstraction by Heterogeneous-Homogeneous Hybrid Catalyst of CeO2 and 2-Cyanopyridine via Redox of CeO2 for C-H Bond Oxidation with Air M. Tamura, E. Sagawa, A. Nakayama, Y. Nakagawa, and K. Tomishige ACS Catal. 11, 11867-11872 (2021). DOI: 10.1021/acscatal.1c03757
Detailed Characterization of MoOx-Modified Rh Metal Particles by Ambient-Pressure XPS and DFT Calculations R. Toyoshima, J. Kawai, K. Isegawa, H. Kondoh, A. Junkaew, A. Nakayama, T. Asano, M. Tamura, Y. Nakagawa, M. Yabushita, and K. Tomishige J. Phys. Chem. C 125, 4540-4549 (2021). DOI: 10.1021/acs.jpcc.0c10380
Comprehensive Study on Ni- or Ir-based Alloy Catalysts in Hydrogenation of Olefins and Mechanistic Insight J. Bai, M. Tamura, A. Nakayama, Y. Nakagawa, and K. Tomishige ACS Catal. 11, 3293-3309 (2021). DOI: 10.1021/acscatal.0c04615
2020
Hydrodeoxygenation of Guaiacol to Phenol over Ceria-Supported Iron Catalysts C. Li, Y. Nakagawa, M. Tamura, A. Nakayama, and K. Tomishige ACS Catal. 10, 14624-14639 (2020). DOI: 10.1021/acscatal.0c04336
Catalytic Mechanism of Liquid-Metal Indium for Direct Dehydrogenative Conversion of Methane to Higher Hydrocarbons Y. Nisikawa, Y. Ohtsuka, H. Ogihara, R. Rattanawan, M. Gao, A. Nakayama, J. Hasegawa, and I. Yamanaka ACS Omega 5, 28158-28167 (2020). DOI: 10.1021/acsomega.0c03827
Mechanistic Study on Deoxydehydration and Hydrogenation of Methyl Glycosides to Dideoxy Sugars over ReOx-Pd/CeO2 catalyst J. Cao, M. Tamura, R. Hosaka, A. Nakayama, J. Hasegawa, Y. Nakagawa, and K. Tomishige ACS Catal. 10, 12040-12051 (2020). DOI: 10.1021/acscatal.0c02309
Extending nudged elastic band method to reaction pathways involving multiple spin states L. Zhao, K. Watanabe, N. Nakatani, A. Nakayama, X. Xu, and J. Hasegawa J. Chem. Phys. 153, 134114 (2020). DOI: 10.1063/5.0021923
A detailed analysis of the spin-crossover reaction of H2S binding to heme and the six-coordinated FeP(Im)-HS− porphyrin complex B. D. Ostojić, P. Schwerdtfeger, A. Nakayama, J. Hasegawa, and D. S. Đorđević J. Inorg. Biochem. 206, 111049 (2020). DOI: 10.1016/j.jinorgbio.2020.111049
Development of a 1,3a,6a-Triazapentalene Derivative as a Compact and Thiol-Specific Fluorescent Labeling Reagent A. Nakayama, A. Otani, T. Inokuma, D. Tsuji, H. Mukaiyama, A. Nakayama, K. Itoh, A. Otaka, K. Tanino, and K. Namba Commun. Chem. 3, 6 (2020). DOI: 10.1038/s42004-019-0250-0
2019
Distinct ionic adsorption sites in defective Prussian blue: a 3D-RISM study N. Ruankaew, N. Yoshida, Y. Watanabe, A. Nakayama, H. Nakano, and S. Phongphanphanee Phys. Chem. Chem. Phys. 21, 22569-22576 (2019). DOI: 10.1039/C9CP04355A
Theoretical Study on the C-H Activation of Methane by Liquid-Metal Indium: Catalytic Activity of Small Indium Clusters Y. Ohtsuka, Y. Nishikawa, H. Ogihara, I. Yamanaka, M. Ratanasak, A. Nakayama, and J. Hasegawa J. Phys. Chem. A 123, 8907-8912 (2019). DOI: 10.1021/acs.jpca.9b06374
Experimental and theoretical study of multinuclear Indium-oxo clusters in CHA zeolite for CH4 activation at room temperature Z. Maeno, S. Yasumura, C. Liu, T. Toyao, K. Kon, A. Nakayama, J. Hasegawa, and K. Shimizu Phys. Chem. Chem. Phys. 21, 13415-13427 (2019). DOI: 10.1039/C9CP01873E
Direct Synthesis of Alternating Polycarbonates from CO2 and Diols by Using a Catalyst System of CeO2 and 2-furonitrile Y. Gu, K. Matsuda, A. Nakayama, M. Tamura, Y. Nakagawa, and K. Tomishige ACS Sustain. Chem. Eng. 7, 6304-6315 (2019). DOI: 10.1021/acssuschemeng.8b06870
Soft X-ray Li-K and Si-L2,3 Emission from Crystalline and Amorphous Lithium Silicides in Lithium-Ion Batteries Anode A. Lyalin, V. G. Kuznetsov, A. Nakayama, I. V. Abarenkov, I. I. Tupitsyn, I. E. Gabis, K. Uosaki, and T. Taketsugu J. Electrochem. Soc. 166, A5362-A5368 (2019).(Special Issue: Focus Issue of Selected Papers from IMLB 2018) DOI: 10.1149/2.0551903jes
Constraint Structure Optimization to a Specific Minimum Using Ionization Energy I. Harada, A. Nakayama, J. Hasegawa J. Comput. Chem. 40, 507-514 (2019).(Special Issue: Memorial Festschrift for Keiji Morokuma) DOI: 10.1002/jcc.25738
