Tokyo University of Science 望月研究室

Publications

研究業績

Journal papers

  1. Preparation of carbon-coated ceramic membranes for membrane distillation and their application to PFAS removal

    R. Tanaka, Y. Mochizuki, N. Arimitsu, K. Yamamoto, B. Zhang, J. Liu, A. Nakajima, Y. Oki, M. Fujii, T. Isobe*

    ACS ES&T Water 6, 1786-1794 (2026).

  2. Preparation and evaluation of antiviral activity of Zn-doped CeO2 under dark and visible-light irradiation

    M. Tomaru, Y. Mochizuki, T. Isobe, K. Kobayashi, T. Nagai, H. Ishiguro, A. Nakajima*

    J. Ceram. Soc. Jpn. 134, 174-181 (2026).

  3. Water desorption-driven negative thermal expansion behavior of synthesized potassium-ion-exchanged gismondine zeolite

    M. Hemmi, N. Arimitsu, Y. Mochizuki, A. Nakajima, T. Isobe*

    Mater. Chem. Phys. 350, 131936-131936 (2026).

  4. Preparation and Thermal Expansion Behavior of an EDI-Type SAPO with Dehydration-Induced Negative Thermal Expansion

    D. Nagai, H. Igawa, N. Arimitsu, Y. Mochizuki, A. Nakajima, T. Isobe*

    J. Ceram. Soc. Jpn. 134, 51-56 (2026).

  5. Synthesis of amino-functionalized amorphous carbon membranes via glucose-solution hydrothermal method

    Y. Nakamura, N. Arimitsu, S. Matsushita, Y. Mochizuki, A. Nakajima, T. Isobe*

    J. Ceram. Soc. Jpn. 134, 5-9, (2026).

  6. Preparation and Antiviral Activity of La2CuO4 and Y2Cu2O5 with Mechanistic Insights from First Principles

    R. Kiribayashi, K. Sunada, T. Isobe, K. Kobayashi, T. Nagai, H. Ishiguro, Y. Mochizuki*, A. Nakajima*

    ACS Appl. Mater. Interfaces 17, 61872-61887 (2025).

    Selected as a supplement cover page.

  7. Reply to "Comment on "Thermal expansion and phase stability of BF3 (B = Sc, Y, La, Al, Ga, In) from first principles""

    H. Koiso, S. Yoshida, T. Nagai, T. Isobe, A. Nakajima, Y. Mochizuki*

    Phys. Rev. B 122, 226102 (2025).

  8. Pore structure modulation and surface functionalization boosted adsorption of PFAS on porous carbon: Experimental and theoretical investigations

    B. Zhang, D. Moriyama, T.M. Herath, H. Zhao, Y. Bai, Y. Dang, W. Liu, H. Kato, K. Yamamoto, Y. Mochizuki, N. Arimitsu, A. Nakajima, X. Zhu, B. Chen, M. Fujii, T. Isobe*

    J. Hazardous Mater. 499, 140063 (2025).

  9. Diverse surface reconstructions in MAX phases

    M. Khazaei*, M. Bagheri, A. Ranjbar*, S. Bae*, R. Khaledialidusti, Y. Mochizuki, T. D. Kuhne, K. Shudo, H. Raebiger, H.-P. Komsa*, H. Hosono*

    Nanoscale 17, 24184-24195 (2025).

  10. Preparation of La2Sn2O7, Mg2SnO4, and MgSn(OH)6 and their antiviral/antibacterial activities
    R. Kiribayashi, K. Sunada, Y. Mochizuki, T. Isobe, K. Kobayashi, T. Nagai, H. Ishiguro, A. Nakajima*
    J. Mater. Sci.: Mater. Med. 36, 64 (2025).

  11. Discovery of Biaxial Negative Thermal Expansion in KNbSi2O7 from Computations and Experiments

    H. Koiso, S. Kawasoe, J. Zhang, T. Isobe, A. Nakajima, Y. Mochizuki*

    J. Phys. Chem. C 129, 9509 (2025).

  12. Impact of Underlying Insulators on the Crystallinity and Antisite Defect Formation in PVD-MoS2 Films

    N. Matsunaga*, S. Imai, T. Shirokura, Y. Mochizuki, K. Kuwahata, K. Tsutsui, K. Kakushima, H. Wakabayashi

    IEEE J. Electron Device Soc. 13, 883-891 (2025).

  13. Processing and antiviral activity of Cu-modified (Ce0.8, Gd0.2)O2-δ in the dark and under visible light
    N. Ogawa, Y. Mochizuki, T. Isobe, K. Kobayashi, T. Nagai, H. Ishiguro, A. Nakajima*
    J. Ceram. Soc. Jpn. 133, 474-480 (2025).

  14. Antibacterial and antiviral activities of transparent PVA coating films prepared by using solutions containing eluted ions from rare earth iodates

    K. Abe, K. Sunada, Y. Mochizuki, T. Isobe, T. Nagai, H. Ishiguro, A. Nakajima*

    J. Coatings Tech. Res. 22, 471-480 (2025).

  15. Theoretical and data-driven approaches to semiconductors and dielectrics: from prediction to experiment
    F. Oba*, T. Nagai, R. Katsube, Y. Mochizuki, M. Tsuji, G. Deffrennes, K. Hanzawa, A. Nakano, A. Takahashi, K. Terayama, R. Tamura, H. Hiramatsu, Y. Nose, H. Taniguchi
    Sci. Tech. Adv. Mater. 25, 2423600 (2024).
  16. Effects of UV illumination on organic dye decomposition activity and antibacterial and antiviral activities of rare earth iodates
    K. Abe, K. Sunada, Y. Mochizuki, T. Isobe, T. Nagai, H. Ishiguro, A. Nakajima*
    J. Mater. Sci. 59, 17558-17572 (2024).
  17. Thermal expansion and phase stability of BF3 (B = Sc, Y, La, Al, Ga, In) from first principles
    H. Koiso, S. Yoshida, T. Nagai, T. Isobe, A. Nakajima, Y. Mochizuki*
    Phys. Rev. B 110, 064104 (2024).
  18. Antiviral and antibacterial activities of yttria-stabilized zirconia
    R. Kiribayashi, R. Nakane, K. Sunada, Y. Mochizuki, T. Isobe, T. Nagai, H. Ishiguro, A. Nakajima*
    Mater. Lett. 367, 136658 (2024).
  19. Thermal Properties of the Element and Binary Oxides toward Negative Thermal Expansion: A First-Principles Lattice-Dynamics Study
    Y. Mochizuki*, H. Koiso, K. Nagamatsu, S. Bae, T. Isobe, A. Nakajima
    J. Phys. Chem. C 128, 525-535 (2024).
  20. Mechanism of Negative Thermal Expansion in Monoclinic Cu2P2O7 from First Principles
    Y. Mochizuki*,†, K. Nagamatsu†, H. Koiso, T. Isobe, A. Nakajima (equal contribution†)
    J. Phys. Chem. Lett. 15, 156-164 (2024).
  21. Degradation of 2-naphthol in water and antibacterial/antiviral activity by Zn2SnO4, ZnSn(OH)6 and Y2Sn2O7
    R. Nakane, R. Kiribayashi, K. Sunada, Y. Mochizuki, T. Isobe, S. Matsushita, T. Nagai, H. Ishiguro, A. Nakajima*
    Ceram. Int. 50, 10797-10805 (2024).
  22. Preparation of rare earth iodates and their decomposition activity on organic dyes and antibacterial/antiviral activities
    K. Abe, K. Sunada, Y. Mochizuki, T. Isobe, S. Matsushita, T. Nagai, H. Ishiguro, A. Nakajima*
    Ceram. Int. 49, 14681-14688 (2023).
  23. Processing of cerium molybdates by solid phase process and their antiviral activity
    S. Iwakura, T. Ito, T. Sakai, K. Sunada, Y. Mochizuki, T. Isobe, S. Matsushita, T. Nagai, H. Ishiguro, A. Nakajima*
    J. Jpn. Soc. Colour Mater. 96, 96-103 (2023).
  24. Chemical Trends of Surface Reconstruction and Band Positions of Nonmetallic Perovskite Oxides from First Principles
    Y. Mochizuki*, H.-J. Sung, T. Gake, F. Oba*
    Chem. Mater. 35, 2047 (2023).
  25. Decomposition of 2-naphthol in water and its antibacterial and antiviral activities by LaMnO3 and LaCoO3 in the dark
    R. Kiribayashi, K. Sunada, Y. Mochizuki, T. Isobe, S. Matsushita, T. Nagai, H. Ishiguro, A. Nakajima*
    J. Ceram. Soc. Jpn. 131, 117-125 (2023).
  26. Chemical Aspect of Displacive-type Ferroaxial Phase Transition from Perspective of Second-Order Jahn-Teller Effect: NASICON Systems as an Example
    T. Nagai*, Y. Mochizuki, S. Yoshida, T. Kimura*
    J. Am. Chem. Soc. 145, 8090 (2023).
  27. Antiviral and antifungal activities of tin molybdenum solid solution oxide prepared using mechanochemical processing
    T. Sakai, K. Sunada, Y. Mochizuki, T. Isobe, S. Matsushita, T. Nagai, H. Ishiguro, A. Nakajima*
    J. Ceram. Soc. Jpn. 131, 482-487 (2023).
  28. Decomposition of 2-naphthol in water and antiviral activity of CoOx modified (Ce0.8, Bi0.2-y, Lay) O2-δ in the dark
    N. Kobayashi, K. Sunada, Y. Mochizuki, T. Isobe, S. Matsushita, T. Nagai, H. Ishiguro, A. Nakajima*
    J. Ceram. Soc. Jpn. 131, 590-594 (2023).
  29. Superlattice MAX phases with A-layers reconstructed into 0D-clusters, 1D-chains, and 2D-lattices
    M. Khazaei*, S. Bae*, R. Khaledialidusti, A. Ranjbar, H.-P. Komsa, S. Khazaei, M. Bagheri, V. Wang, Y. Mochizuki, M. Kawamura, G. Cuniberti, S. M. Allaei, K. Ohno, H. Hosono, H. Raebiger*
    J. Phys. Chem. C, 127, 14906 (2023).
  30. Antiviral and antifungal activities of lanthanum molybdate and copper molybdate
    T. Sakai, K. Sunada, Y. Mochizuki, T. Isobe, S. Matsushita, T. Nagai, H. Ishiguro, A. Nakajima*
    J. Ceram. Soc. Jpn. 130, 370-375 (2022).
  31. Time dependence of the dominant mechanisms of self-propelled droplets by Leidenfrost phenomenon on Zn plate surfaces with and without ZnO nanorods
    T. Hirosawa, K. Yamamoto, M. Sakai, Y. Mochizuki, T. Isobe, S. Matsushita, A. Nakajima*
    Mater. Chem. Phys. 288, 126349 (2022).
  32. Phase variation of ferroelectric Li2Sr1-xCax(Nb1-xTax)2O7 by selective reinforcement in the (Nb,Ta)-O covalent bonds
    A. Nakano*, H. Shirakuni, T. Nagai, Y. Mochizuki, F. Oba, H. Yokota, S. Kawaguchi, I. Terasaki, H. Taniguchi
    Phys. Rev. Materials 6, 044412 (2022).
  33. Coexisting Mechanisms for Ferroelectric Phase Transition in Li2SrNb2O7
    Y. Mochizuki, T. Nagai, H. Shirakuni, A. Nakano, F. Oba, I. Terasaki, H. Taniguchi*
    Chem. Mater. 33, 1257 (2021).
  34. Machine learning models for predicting the dielectric constants of oxides based on high-throughput first-principles calculations
    A. Takahashi*, Y. Kumagai, J. Miyamoto, Y. Mochizuki, F. Oba
    Phys. Rev. Materials 4, 103801 (2020).
  35. Surface reconstruction and band alignment of nonmetallic A(II)B(IV)O3 perovskites
    H.-J. Sung*, Y. Mochizuki, F. Oba*
    Phys. Rev. Materials 4, 044606 (2020).
  36. Theoretical exploration of mixed-anion antiperovskite semiconductors M3XN (M = Mg, Ca, Sr, Ba; X = P, As, Sb, Bi)
    Y. Mochizuki*, H.-J. Sung, A. Takahashi, Y. Kumagai, F. Oba
    Phys. Rev. Materials 4, 044601 (2020).
  37. Phase Transition from Weak Ferroelectricity to Incipient Ferroelectricity in Li2Sr(Nb1-xTax)2O7
    T. Nagai†, Y. Mochizuki†, H. Shirakuni, A. Nakano, F. Oba, I. Terasaki, H. Taniguchi*
    Chem. Mater. 32, 744 (2020). (equal contribution†)
  38. Polar metallic behavior of strained antiperovskites ACNi3 (A = Mg, Zn, and Cd) from first principles
    Y. Mochizuki*, Y. Kumagai, H. Akamatsu, F. Oba
    Phys. Rev. Materials 2, 125004 (2018).
  39. Strain-engineered Peierls instability in layered perovskite La3Ni2O7 from first principles
    Y. Mochizuki, H. Akamatsu*, Y. Kumagai, F. Oba
    Phys. Rev. Materials 2, 125001 (2018).

Conference

  1. Computational Chemistry of Phonon-Induced Negative Thermal Expansion

    Y. Mochizuki*

    The 4th Global Conference of Innovation Materials & MRS-K Spring Meeting (GCIM2026), Jeju, Korea, Jun 2nd, 2026.

    招待講演・口頭発表

  2. Theoretical Study of Phonon-Induced Negative Thermal Expansion Materials

    Y. Mochizuki*

    2nd International Conference on Advanced Functional Materials and Devices (AFMD-2026), Chennai, India, Mar. 20th, 2026.

    招待講演・口頭発表

  3. Comprehensive First-Principles Lattice Dynamics Study for Thermal Properties of the Element and Binary Oxides toward Negative Thermal Expansion

    Y. Mochizuki*, H. Koiso, K. Nagamatsu, S. Bae, T. Isobe, A. Nakajima

    The 39th International Korea-Japan Seminar on Ceramics (KJ-Ceramics 39), Jeju, Korea, Nov. 20th, 2025.

    招待講演・口頭発表

  4. 第一原理計算に立脚した格子振動に由来する負熱膨張挙動の機構解明（Mechanism Elucidation of Phonon-Induced Negative Thermal Expansion from First Principles）

    望月 泰英

    第33回日本MRS年次大会, 横浜, 2023年11月14日.

    招待講演・口頭発表

  5. 第一原理格子動力学計算によるペロブスカイト物質の新規構造探索 (Structural exploration of perovskites using first-principles lattice-dynamics calculations)

    望月 泰英

    第30回日本MRS年次大会, オンライン開催, 2020年12月10日.

    招待講演・口頭発表

Awards

  1. The 15th International Conference on the Science and Technology for Advanced Ceramics (STAC-15), Silver Prize Poster Award

    M. Suzuki, M. Obata, T. Kotani, T. Soma, T. Isobe, A. Nakajima, and Y. Mochizuki*　(Oct. 2025)

  2. The 15th International Conference on the Science and Technology for Advanced Ceramics (STAC-15), Silver Prize Poster Award

    K. Sato, T. Isobe, A. Nakajima, and Y. Mochizuki*　(Oct. 2025)

  3. 第22回無機材料合同研究会 奨励賞

    三浦 英士　（2024年 8月）

  4. 日本セラミックス協会 第36回秋季シンポジウム 特定セッション(先進的な構造科学と分析技術) 最優秀ポスター発表賞

    永松 楓, 望月 泰英*, 小磯 宏喜, 磯部 敏宏, 中島 章　（2023年 9月）

  5. 日本セラミックス協会 第36回秋季シンポジウム 特定セッション(先進的な構造科学と分析技術) 優秀講演賞

    小磯 宏喜, 望月 泰英*, 磯部 敏宏, 中島 章　（2023年 9月）

  6. 日本セラミックス協会 2023年年会 優秀ポスター発表賞

    小磯 宏喜, 望月 泰英*, 磯部 敏宏, 松下 祥子, 中島 章　（2023年 5月）

  7. 2023年度 東工大挑戦的研究賞

    望月 泰英　（2023年 8月）

  8. 第32回日本MRS年次大会 奨励賞

    望月 泰英　（2023年 1月）

  9. IUMRS-ICYRAM 2022 Young Researcher Award Silver Prize

    Y. Mochizuki　(Sep. 2022)

  10. 令和3年度手島精一記念研究賞（博士論文賞）

    望月 泰英　（2022年 3月）

  11. 第28回日本MRS年次大会 奨励賞

    望月 泰英　（2019年 1月）

  12. 第56回セラミックス基礎科学討論会 World Young Fellow Meeting 2018 Good Presentation Award

    望月 泰英　（2018年 1月）