Mochizuki Yasuhide 望月泰英

Researcher Number	30910179
Other IDs	https://orcid.org/0000-0002-8292-7736
Affiliation (Current)	2026: 東京理科大学, 先進工学部マテリアル創成工学科, 講師
Affiliation (based on the past Project Information) *help	2024 – 2025: 東京科学大学, 物質理工学院, 助教 2022 – 2023: 東京工業大学, 物質理工学院, 助教
Review Section/Research Field	Principal Investigator Basic Section 26020:Inorganic materials and properties-related Except Principal Investigator Medium-sized Section 22:Civil engineering and related fields / Medium-sized Section 26:Materials engineering and related fields
Keywords	Principal Investigator 擬調和近似 / 第一原理計算 / グリュナイゼン定数 / フォノン / 負熱膨張材料 / 計算材料科学 Except Principal Investigator ノンターゲット / 微量有機汚染物質 / 高分解能質量分析 / 水質管理 … More / プラズマ処理 / 水処理 / PFAS / 新興汚染物質 / 超高分解能質量分析 / 変換生成物 / 無機 / 非晶質 / ポリマー / 菌 / 希土類 / ヨウ素酸 / ウイルス Less

First-principles calculation of anharmonic parameters and its application to negative-thermal-expansion materialsPrincipal Investigator
- Principal Investigator
  
  望月泰英
- Project Period (FY)
  2025 – 2028
- Research Category
  
  Grant-in-Aid for Scientific Research (B)
- Review Section
  
  Basic Section 26020:Inorganic materials and properties-related
- Research Institution
  Institute of Science Tokyo
超高分解能質量分析を駆使した変換生成物汚染実態解明とそれに基づく水質管理法の開発
- Principal Investigator
  
  藤井学
- Project Period (FY)
  2023 – 2026
- Research Category
  
  Fund for the Promotion of Joint International Research (International Collaborative Research)
- Review Section
  
  Medium-sized Section 22:Civil engineering and related fields
- Research Institution
  Institute of Science Tokyo
Development of new amorphous inorganic antiviral materials for game-changing from vaccine reliance
- Principal Investigator
  
  Nakajima Akira
- Project Period (FY)
  2022 – 2024
- Research Category
  
  Grant-in-Aid for Challenging Research (Exploratory)
- Review Section
  
  Medium-sized Section 26:Materials engineering and related fields
- Research Institution
  Institute of Science Tokyo
Elucidation of the mechanism for negative thermal expansion materials originating from lattice vibrationPrincipal Investigator
- Principal Investigator
  
  Mochizuki Yasuhide
- Project Period (FY)
  2022 – 2024
- Research Category
  
  Grant-in-Aid for Early-Career Scientists
- Review Section
  
  Basic Section 26020:Inorganic materials and properties-related
- Research Institution
  Institute of Science Tokyo

All 2025 2024 2023 2022

All Journal Article Presentation

[Journal Article] Antibacterial and antiviral activities of transparent PVA coating films prepared by using solutions containing eluted ions from rare earth iodates2025
- Author(s)
  K. Abe, K. Sunada, Y. Mochizuki, T. Isobe, T. Nagai, H. Ishiguro, A. Nakajima
- Journal Title
  
  J. Coatings Tech. Res.
  
  Volume: 22 Issue: 1 Pages: 471-480
- DOI
  10.1007/s11998-024-00979-4
- Peer Reviewed / Open Access
- Data Source
  KAKENHI-PROJECT-22K18882
[Journal Article] Discovery of Biaxial Negative Thermal Expansion in KNbSi2O7 from Computations and Experiments2025
- Author(s)
  Koiso Hiroki、Kawasoe Shoei、Zhang Jinfu、Isobe Toshihiro、Nakajima Akira、Mochizuki Yasuhide
- Journal Title
  
  The Journal of Physical Chemistry C
  
  Volume: 129 Issue: 20 Pages: 9509-9517
- DOI
  10.1021/acs.jpcc.5c01247
- Peer Reviewed / Open Access
- Data Source
  KAKENHI-PROJECT-22K14471
[Journal Article] Mechanism of Negative Thermal Expansion in Monoclinic Cu2P2O7 from First Principles2024
- Author(s)
  Mochizuki Yasuhide、Nagamatsu Kaede、Koiso Hiroki、Isobe Toshihiro、Nakajima Akira
- Journal Title
  
  The Journal of Physical Chemistry Letters
  
  Volume: 15 Issue: 1 Pages: 156-164
- DOI
  10.1021/acs.jpclett.3c02856
- Peer Reviewed / Open Access
- Data Source
  KAKENHI-PROJECT-22K14471
[Journal Article] Effects of UV illumination on organic dye decomposition activity and antibacterial and antiviral activities of rare earth iodates2024
- Author(s)
  K. Abe, K. Sunada, Y. Mochizuki, T. Isobe, T. Nagai, H. Ishiguro, A. Nakajima
- Journal Title
  
  J. Mater. Sci.
  
  Volume: 59 Issue: 37 Pages: 17558-17572
- DOI
  10.1007/s10853-024-10229-y
- Peer Reviewed / Open Access
- Data Source
  KAKENHI-PROJECT-22K18882
[Journal Article] Thermal Properties of the Element and Binary Oxides toward Negative Thermal Expansion: A First-Principles Lattice-Dynamics Study2024
- Author(s)
  Mochizuki Yasuhide、Koiso Hiroki、Nagamatsu Kaede、Bae Soungmin、Isobe Toshihiro、Nakajima Akira
- Journal Title
  
  The Journal of Physical Chemistry C
  
  Volume: 128 Issue: 1 Pages: 525-535
- DOI
  10.1021/acs.jpcc.3c06507
- Peer Reviewed / Open Access
- Data Source
  KAKENHI-PROJECT-22K14471
[Journal Article] Thermal expansion and phase stability of BF3 (B = Sc, Y, La, Al, Ga, In) from first principles2024
- Author(s)
  Koiso Hiroki、Yoshida Suguru、Nagai Takayuki、Isobe Toshihiro、Nakajima Akira、Mochizuki Yasuhide
- Journal Title
  
  Physical Review B
  
  Volume: 110 Issue: 6
- DOI
  10.1103/physrevb.110.064104
- Peer Reviewed / Int'l Joint Research
- Data Source
  KAKENHI-PROJECT-22K14471, KAKENHI-PROJECT-24K08561
[Journal Article] Chemical Aspect of Displacive-Type Ferroaxial Phase Transition from Perspective of Second-Order Jahn-Teller Effect: NASICON Systems as an Example2023
- Author(s)
  Takayuki Nagai, Yasuhide Mochizuki, Suguru Yoshida, and Tsuyoshi Kimura
- Journal Title
  
  Journal of the American Chemical Society
  
  Volume: 145 Issue: 14 Pages: 8090-8098
- DOI
  10.1021/jacs.3c00797
- Peer Reviewed / Int'l Joint Research
- Data Source
  KAKENHI-PROJECT-22K14471, KAKENHI-PROJECT-22K14752, KAKENHI-PLANNED-19H05823, KAKENHI-PROJECT-20K15363
[Journal Article] Preparation of rare earth iodates and their decomposition activity on organic dyes and antibacterial/antiviral activities2023
- Author(s)
  K. Abe, K. Sunada, Y. Mochizuki, T. Isobe, S. Matsushita, T. Nagai, H. Ishiguro, A. Nakajima
- Journal Title
  
  Ceram. Int.
  
  Volume: 49 Issue: 9 Pages: 14681-14688
- DOI
  10.1016/j.ceramint.2023.01.060
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-22K18882, KAKENHI-PROJECT-20K12251
[Journal Article] Superlattice MAX Phases with A-Layers Reconstructed into 0D-Clusters, 1D-Chains, and 2D-Lattices2023
- Author(s)
  Khazaei Mohammad, Bae Soungmin, Khaledialidusti Rasoul, Ranjbar Ahmad, Komsa Hannu-Pekka, Khazaei Somayeh, Bagheri Mohammad, Wang Vei, Mochizuki Yasuhide, Kawamura Mitsuaki, Cuniberti Gianaurelio, Allaei S. Mehdi Vaez, Ohno Kaoru, Hosono Hideo, Raebiger Hannes
- Journal Title
  
  The Journal of Physical Chemistry C
  
  Volume: 127 Issue: 30 Pages: 14906-14913
- DOI
  10.1021/acs.jpcc.3c02233
- Peer Reviewed / Int'l Joint Research
- Data Source
  KAKENHI-PROJECT-22K14471, KAKENHI-PROJECT-23KF0030, KAKENHI-PROJECT-23K04356, KAKENHI-PROJECT-23K21094
[Journal Article] Chemical Trends of Surface Reconstruction and Band Positions of Nonmetallic Perovskite Oxides from First Principles2023
- Author(s)
  Yasuhide Mochizuki, Ha-Jun Sung, Tomoya Gake, and Fumiyasu Oba
- Journal Title
  
  Chemistry of Materials
  
  Volume: 35 Issue: 5 Pages: 2047-2057
- DOI
  10.1021/acs.chemmater.2c03615
- Peer Reviewed / Open Access / Int'l Joint Research
- Data Source
  KAKENHI-PROJECT-22K14471, KAKENHI-PROJECT-20H00302
[Presentation] 第一原理格子動力学計算に基づくダイヤモンド型構造の表面構造探索とバンド位置の理論予測2025
- Author(s)
  都勇希, 望月泰英*, 磯部敏宏, 中島章
- Organizer
  第63回セラミックス基礎科学討論会
- Data Source
  KAKENHI-PROJECT-22K14471
[Presentation] 熱的揺らぎに起因する非調和性と固体の熱膨張の関係性2025
- Author(s)
  小磯宏喜, 磯部敏宏, 中島章, 望月泰英*
- Organizer
  第63回セラミックス基礎科学討論会
- Data Source
  KAKENHI-PROJECT-22K14471
[Presentation] 三価カチオンをドープしたCeO2における固溶体形成エネルギーと酸素拡散活性化エネルギーの第一原理計算2024
- Author(s)
  佐藤紅, 望月泰英*, 裵星旻, 磯部敏宏, 中島章
- Organizer
  第34回日本MRS年次大会
- Data Source
  KAKENHI-PROJECT-22K14471
[Presentation] 第一原理計算及び特殊擬ランダム構造による岩塩型構造ABO2(A, B = Mg, Zn, Cu, Ni, Co)の固溶度の理論検討2024
- Author(s)
  三浦英士, 望月泰英*, 磯部敏宏, 中島章
- Organizer
  第34回日本MRS年次大会
- Data Source
  KAKENHI-PROJECT-22K14471
[Presentation] 第一原理計算によるSi表面の安定構造探索とバンド位置の理論検討2024
- Author(s)
  都勇希, 望月泰英*, 磯部敏宏, 中島章
- Organizer
  第34回日本MRS年次大会
- Data Source
  KAKENHI-PROJECT-22K14471
[Presentation] Thermal Expansion and Phase Stability of Cubic B(III)F3 (B=Sc, Y, La, Al, In, Ga)2024
- Author(s)
  H. Koiso, S. Yoshida, T. Nagai, T. Isobe, A. Nakajima, and Y. Mochizuki
- Organizer
  The 14th International Conference on the Science and Technology for Advanced Ceramics (STAC-14)
- Int'l Joint Research
- Data Source
  KAKENHI-PROJECT-22K14471
[Presentation] 希土類ヨウ素酸化合物の抗菌・抗ウイルス活性に及ぼす光照射の影響およびポリマーとの複合化2024
- Author(s)
  阿部和也、砂田香矢乃、望月泰英、磯部敏宏、永井武、石黒斉、中島章
- Organizer
  第62回セラミックス基礎科学討論会
- Data Source
  KAKENHI-PROJECT-22K18882
[Presentation] 第一原理計算によるNASICON AGe2(PO4)3 (A = Li, Na)における相安定性の理論検討2024
- Author(s)
  鈴木潤, 望月泰英*, 磯部敏宏, 中島章
- Organizer
  第34回日本MRS年次大会
- Data Source
  KAKENHI-PROJECT-22K14471
[Presentation] First-Principles Lattice Dynamics Study for Thermal Properties of the Element and Binary Oxides toward Negative Thermal Expansion2024
- Author(s)
  Y. Mochizuki*, H. Koiso, K. Nagamatsu, S. Bae, T. Isobe, A. Nakajima
- Organizer
  The 14th International Conference on the Science and Technology for Advanced Ceramics (STAC-14)
- Int'l Joint Research
- Data Source
  KAKENHI-PROJECT-22K14471
[Presentation] Chemical Trends of Surface Reconstruction and Band Alignment for Nonmetallic ABO3 from First Principles2024
- Author(s)
  Y. Mochizuki, H.-J. Sung, T. Gake, and F. Oba
- Organizer
  The 14th International Conference on the Science and Technology for Advanced Ceramics (STAC-14)
- Int'l Joint Research
- Data Source
  KAKENHI-PROJECT-22K14471
[Presentation] 群論から紐解く結晶の化学結合解析2024
- Author(s)
  小磯宏喜, Hempelmann Jan, 磯部敏宏, 中島章, 望月泰英*
- Organizer
  第34回日本MRS年次大会
- Data Source
  KAKENHI-PROJECT-22K14471
[Presentation] 負熱膨張挙動に向けた単体元素及び二元系酸化物における熱的性質の第一原理格子動力学計算2024
- Author(s)
  望月泰英, 小磯宏喜, 永松楓, 裵星旻, 磯部敏宏, 中島章
- Organizer
  第34回日本MRS年次大会
- Data Source
  KAKENHI-PROJECT-22K14471
[Presentation] 第一原理格子動力学計算に基づく単斜晶系Cu2P2O7における負熱膨張挙動の機構解析2024
- Author(s)
  永松楓, 望月泰英*, 小磯宏喜, 磯部敏宏, 中島章
- Organizer
  第62回セラミックス基礎科学討論会
- Data Source
  KAKENHI-PROJECT-22K14471
[Presentation] 第一原理格子動力学に基づく NASICON 型構造における負熱膨張性の機構解析2023
- Author(s)
  望月泰英, 金田涼, 裵星旻, 永井隆之, 磯部敏宏, 松下祥子, 中島章
- Organizer
  日本セラミックス協会2023年年会
- Data Source
  KAKENHI-PROJECT-22K14471
[Presentation] 希土類ヨウ素酸化合物の紫外線照射下における抗ウイルス活性2023
- Author(s)
  阿部和也、砂田香矢乃、永井武、石黒斉、望月泰英、磯部敏宏、中島章
- Organizer
  2023年色材研究発表会
- Data Source
  KAKENHI-PROJECT-22K18882
[Presentation] Chemical Trends of Surface Reconstruction and Band Alignment for Nonmetallic Perovskite Oxides: A First-Principles Study2023
- Author(s)
  Y. Mochizuki*, H.-J. Sung, T. Gake, and F. Oba
- Organizer
  MRM2023/IUMRS-ICA2023
- Int'l Joint Research
- Data Source
  KAKENHI-PROJECT-22K14471
[Presentation] Chemical aspect of ferroaxial order: NASICON systems as a case study2023
- Author(s)
  T. Nagai*, Y. Mochizuki, S. Yoshida, T. Kimura
- Organizer
  The 21st Taiwan-Japan-Korea Symposium On Strongly Correlated Electron Systems (TJK21)
- Int'l Joint Research
- Data Source
  KAKENHI-PROJECT-22K14471
[Presentation] 第一原理計算に基づく単斜晶系Cu2P2O7における負熱膨張挙動の機構解析2023
- Author(s)
  永松楓, 望月泰英*, 小磯宏喜, 磯部敏宏, 中島章
- Organizer
  第33回日本MRS年次大会
- Data Source
  KAKENHI-PROJECT-22K14471
[Presentation] Chemical aspect of displacive-type ferroaxial materials: NASICON systems as an example2023
- Author(s)
  T. Nagai*, Y. Mochizuki, S. Yoshida, T. Kimura
- Organizer
  The 14th APCTP Workshop on Multiferroics
- Int'l Joint Research
- Data Source
  KAKENHI-PROJECT-22K14471
[Presentation] Temperature-Dependent Phonon-Frequency Change in NASICONs from Raman Spectroscopy Study and First Principles2023
- Author(s)
  Seoyeon Ko, Soungmin Bae, Seokhyun Yoon*, and Yasuhide Mochizuki*
- Organizer
  The 8th Asian Applied Physics Conference
- Int'l Joint Research
- Data Source
  KAKENHI-PROJECT-22K14471
[Presentation] 第一原理格子動力学計算に基づく単斜晶系負熱膨張材料Cu2P2O7の機構解析2023
- Author(s)
  永松楓, 望月泰英*, 小磯宏喜, 磯部敏宏, 中島章
- Organizer
  日本セラミックス協会第36回秋季シンポジウム
- Data Source
  KAKENHI-PROJECT-22K14471
[Presentation] 第一原理格子動力学計算を用いたダイヤモンド型構造の表面構造探索とバンド位置の評価2023
- Author(s)
  都勇希, 望月泰英*, 磯部敏宏, 中島章
- Organizer
  日本セラミックス協会第36回秋季シンポジウム
- Data Source
  KAKENHI-PROJECT-22K14471
[Presentation] First-Principles Lattice-Dynamics Calculations for Stable Surface Structure Exploration and Band Position of Diamond and Zincblende Structures2023
- Author(s)
  Y. Miyako, Y. Mochizuki*, T. Isobe, and A. Nakajima
- Organizer
  MRM2023/IUMRS-ICA2023
- Int'l Joint Research
- Data Source
  KAKENHI-PROJECT-22K14471
[Presentation] Mechanism of Negative Thermal Expansion in Monoclinic Cu2P2O7: A First-Principles Lattice-Dynamics Study2023
- Author(s)
  K. Nagamatsu, Y. Mochizuki*, H. Koiso, T. Isobe, and A. Nakajima
- Organizer
  MRM2023/IUMRS-ICA2023
- Int'l Joint Research
- Data Source
  KAKENHI-PROJECT-22K14471
[Presentation] 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2023
- Author(s)
  望月泰英
- Organizer
  第33回日本MRS年次大会
- Invited
- Data Source
  KAKENHI-PROJECT-22K14471
[Presentation] ハイスループット第一原理格子動力学計算に基づくMAX相の熱特性の機械学習2023
- Author(s)
  川添照英, 望月泰英*, 磯部敏宏, 中島章
- Organizer
  第33回日本MRS年次大会
- Data Source
  KAKENHI-PROJECT-22K14471
[Presentation] 有限温度における第一原理格子動力学に基づく立方晶SrTiO3の熱膨張性の解析2023
- Author(s)
  小磯宏喜, 望月泰英*, 磯部敏宏, 中島章
- Organizer
  日本セラミックス協会第36回秋季シンポジウム
- Data Source
  KAKENHI-PROJECT-22K14471
[Presentation] 第一原理計算に基づくB(III)F3における熱膨張挙動と結晶多形の解析2023
- Author(s)
  小磯宏喜, 望月泰英*, 吉田傑, 永井隆之, 磯部敏宏, 中島章
- Organizer
  第33回日本MRS年次大会
- Data Source
  KAKENHI-PROJECT-22K14471
[Presentation] 第一原理格子動力学計算による二元系フッ化物 BF3 の構造安定性と熱膨張特性の解析2023
- Author(s)
  小磯宏喜, 望月泰英*, 磯部敏宏, 松下祥子, 中島章
- Organizer
  日本セラミックス協会2023年年会
- Data Source
  KAKENHI-PROJECT-22K14471
[Presentation] Thermal Expansion and Polymorphism of B(III)F3: A First-Principles Study2023
- Author(s)
  H. Koiso, Y. Mochizuki*, S. Yoshida, T. Nagai, T. Isobe, and A. Nakajima
- Organizer
  MRM2023/IUMRS-ICA2023
- Int'l Joint Research
- Data Source
  KAKENHI-PROJECT-22K14471
[Presentation] Ce6M(III)2O15における酸素拡散の活性化エネルギーに関する第一原理計算2023
- Author(s)
  佐藤紅, 望月泰英*, 磯部敏宏, 中島章
- Organizer
  第33回日本MRS年次大会
- Data Source
  KAKENHI-PROJECT-22K14471
[Presentation] 計算・実験を通じたNASICON型構造における負熱膨張性の機構解析2022
- Author(s)
  望月泰英, 金田涼, 裵星旻, 磯部敏宏, 松下祥子, 中島章
- Organizer
  第32回日本MRS年次大会
- Data Source
  KAKENHI-PROJECT-22K14471
[Presentation] Weak Ferroelectricity of Li2SrNb2O7 Triggered by Two Coexisting Mechanisms2022
- Author(s)
  Y. Mochizuki, T. Nagai, H. Shirakuni, A. Nakano, F. Oba, I. Terasaki, and H. Taniguchi
- Organizer
  IUMRS-ICYRAM2022
- Int'l Joint Research
- Data Source
  KAKENHI-PROJECT-22K14471

1. Nakajima Akira (00302795)

# of Collaborated Projects: 1 results

# of Collaborated Products: 5 results
2. 石黒斉 (00381666)

# of Collaborated Projects: 1 results

# of Collaborated Products: 5 results
3. 藤井学 (30598503)

# of Collaborated Projects: 1 results

# of Collaborated Products: 0 results
4. 權垠相 (10360538)

# of Collaborated Projects: 1 results

# of Collaborated Products: 0 results
5. ザンベイ (90979824)

# of Collaborated Projects: 1 results

# of Collaborated Products: 0 results
6. 磯部敏宏 (20518287)

# of Collaborated Projects: 1 results

# of Collaborated Products: 0 results

Mochizuki Yasuhide 望月 泰英

Research Projects

Research Products

Co-Researchers

First-principles calculation of anharmonic parameters and its application to negative-thermal-expansion materialsPrincipal Investigator

Principal Investigator

Project Period (FY)

Research Category

Review Section

Research Institution

超高分解能質量分析を駆使した変換生成物汚染実態解明とそれに基づく水質管理法の開発

Principal Investigator

Project Period (FY)

Research Category

Review Section

Research Institution

Development of new amorphous inorganic antiviral materials for game-changing from vaccine reliance

Principal Investigator

Project Period (FY)

Research Category

Review Section

Research Institution

Elucidation of the mechanism for negative thermal expansion materials originating from lattice vibrationPrincipal Investigator

Principal Investigator

Project Period (FY)

Research Category

Review Section

Research Institution

[Journal Article] Antibacterial and antiviral activities of transparent PVA coating films prepared by using solutions containing eluted ions from rare earth iodates2025

Author(s)

Journal Title

DOI

Data Source

[Journal Article] Discovery of Biaxial Negative Thermal Expansion in KNbSi2O7 from Computations and Experiments2025

Author(s)

Journal Title

DOI

Data Source

[Journal Article] Mechanism of Negative Thermal Expansion in Monoclinic Cu2P2O7 from First Principles2024

Author(s)

Journal Title

DOI

Data Source

[Journal Article] Effects of UV illumination on organic dye decomposition activity and antibacterial and antiviral activities of rare earth iodates2024

Author(s)

Journal Title

DOI

Data Source

[Journal Article] Thermal Properties of the Element and Binary Oxides toward Negative Thermal Expansion: A First-Principles Lattice-Dynamics Study2024

Author(s)

Journal Title

DOI

Data Source

[Journal Article] Thermal expansion and phase stability of BF3 (B = Sc, Y, La, Al, Ga, In) from first principles2024

Author(s)

Journal Title

DOI

Data Source

[Journal Article] Chemical Aspect of Displacive-Type Ferroaxial Phase Transition from Perspective of Second-Order Jahn-Teller Effect: NASICON Systems as an Example2023

Author(s)

Journal Title

DOI

Data Source

[Journal Article] Preparation of rare earth iodates and their decomposition activity on organic dyes and antibacterial/antiviral activities2023

Author(s)

Journal Title

DOI

Data Source

[Journal Article] Superlattice MAX Phases with A-Layers Reconstructed into 0D-Clusters, 1D-Chains, and 2D-Lattices2023

Author(s)

Journal Title

DOI

Data Source

[Journal Article] Chemical Trends of Surface Reconstruction and Band Positions of Nonmetallic Perovskite Oxides from First Principles2023

Author(s)

Journal Title

DOI

Data Source

[Presentation] 第一原理格子動力学計算に基づくダイヤモンド型構造の表面構造探索とバンド位置の理論予測2025

Author(s)

Mochizuki Yasuhide 望月泰英