- 大戸 達彦
- Tatsuhiko Ohto
- 招へい准教授
- 連絡先
- ohto(at)molectronics.jp
- 略歴
茨城県久慈郡大子町 出身
茨城県立下妻第一高等学校 卒業
東京大学 工学部 化学システム工学科 卒業
東京大学大学院 工学系研究科 化学システム工学専攻 修士課程 修了
東京大学大学院 工学系研究科 化学システム工学専攻 博士課程 進学
2013年3月 東京大学より博士号(工学)を取得＊海外歴
2008年12月～2009年2月 Internship at BASF, Ludwigshafen, Germany
2011年1月～2011年4月 Computational Spintronics Group, Trinity College Dublin, Ireland
2012年4月～2012年9月 Surface Spectroscopy Theory Group, Molecular Spectroscopy Division, Max Planck Institute for Polymer Research, Mainz, Germany
＊職歴
2012年4月～2013年3月 日本学術振興会特別研究員DC2（東京大学）
2013年4月～2013年5月 日本学術振興会特別研究員PD（産業技術総合研究所）
2013年6月〜2023年2月 大阪大学大学院基礎工学研究科 助教
2023年3月より 名古屋大学大学院工学研究科 准教授
- リンク
- 研究内容
・分子を通じた量子輸送の第一原理計算 動画
～トンネル電子伝導、非弾性トンネリング、ホッピング伝導、熱電、スピン
・第一原理分子動力学法による表面・界面非線形分光スペクトルの計算 動画
・機械学習分子動力学法を活用した非線形分光・触媒反応の解析
- 発表論文
83. TBA
S. Miwa et al., submitted.
82. TBA
R. Asakawa et al., submitted.
81. TBA
S. Bhattacharya et al., submitted.
80. Interfaces Govern Structure of Angstrom-scale Confined Water
Yongkang Wang, Fujie Tang, Xiaoqing Yu, Kuo-Yang Chiang, Chun-Chieh Yu, Tatsuhiko Ohto, Yunfei Chen, Yuki Nagata, Mischa Bonn, submitted.
https://arxiv.org/abs/2310.10354
79. Synthesis and Characterizations of Dibenzo-Fused Perioctacene
Xiushang Xu, Liliia Moshniaha, Serhii Vasylevskyi, Ryota Kabe, Tatsuhiko Ohto, and Akimitsu NaritaAngew. Chem. Int. Ed. in press.78. Toluene-Poisoning-Resistant High-Entropy Non-Noble Metal Anode for Direce One-Step Hydrogeneration of Toluene to Methylcyclohexane
Aimi A. H. Tajuddin, Tatsuhiko Ohto, Hisanori Tanimoto, Takeshi Fujita, Samuel Jeong, Atsushi Fukazawa, Yuto Shimoyama, Yoshitatsu Misu, Kaori Takano, Koji Matsuoka, and Yoshikazu Ito
ChemSusChem, in press.
https://doi.org/10.1002/cssc.202401071
77. Temperature-dependent vibrational energy relaxation of hydrogen-bonded and free OD groups at the air–water interface
Alessandro Greco, Tatsuhiko Ohto, Yuki Nagata, Mischa Bonn, and Ellen H. G. Backus
J. Chem. Phys. 161, 174706 (2024).
https://doi.org/10.1063/5.0231310
76. Periodically Twisted Molecular Wires Based on a Fused Unit for Efficient Intramolecular Hopping Transport
Ryo Asakawa, Soichi Yokoyama, Ryo Yamada, Seiya Maeda, Tatsuhiko Ohto, Hirokazu Tada, and Yutaka Ie
J. Am. Chem. Soc. 146, 23529–23536 (2024).
https://doi.org/10.1021/jacs.4c07548
75. Heterodyne-Detected Sum-Frequency Generation Vibrational Spectroscopy Reveals Aqueous Molecular Structure at the Suspended Graphene/Water Interface
Yongkang Wang, Fujie Tang, Xiaoqing Yu, Tatsuhiko Ohto, Yuki Nagata, and Mischa Bonn
Angew. Chem. Int. Ed. 63, e202319503 (2024).
https://doi.org/10.1002/anie.202319503
74. Seebeck Effect in Molecular Wires Facilitating Long-Range Transport
Jiung Jang, Jeong Woo Jo, Tatsuhiko Ohto, and Hyo Jae Yoon
J. Am. Chem. Soc. 146, 4922 (2024).
https://doi.org/10.1021/jacs.3c14012
73. Durable high-entropy non-noble metal anodes for neutral seawater electrolysis
Fumiya Shiokawa, Aimi Asilah Haji Tajuddin, Tatsuhiko Ohto, Yue Yu, Takeshi Fujita, Hisanori Tanimoto, Zeyu Xi, Samuel Jeong, and Yoshikazu Ito
Chem. Eng. J. 479, 147862 (2024).
https://doi.org/10.1016/j.cej.2023.147862
72. Interfacial negative magnetization in Ni encapsulated layer tunable nested MoS2 nanostructure for robust memory applications
Shatabda Bhattacharya, Tatsuhiko Ohto, Hirokazu Tada, and Shyamal K. Saha
Nanoscale Advances, 6, 1091 (2024).
https://doi.org/10.1039/D3NA00343D
71. Dynamic Variation of Rectification Observed in Supramolecular Mixed Mercaptoalkanoic Acid
Gyu Don Kong, Jiung Jang, Suin Choi, Gayoung Lim, In Soo Kim, Tatsuhiko Ohto, Seiya Maeda, Hirokazu Tada, and Hyo Jae Yoon
Small, 20, 2305997 (2024).
https://doi.org/10.1002/smll.202305997
70. Suppression of Methanol and Formate Crossover through Sulfanilic-functionalized Holey Graphene as Proton Exchange Membranes
Samuel Jeong, Tatsuhiko Ohto, Tomohiko Nishiuchi, Yuki Nagata, Jun-ichi Fujita, and Yoshikazu Ito
Adv. Sci. 10, 2304082 (2023).
https://doi.org/10.1002/advs.202304082
69. Deposition Condition Impacts Charge Tunneling and Thermoelectric Properties of N-Heterocyclic Carbene Monolayers
Hungu Kang, Jiung Jang, Gyu Don Kong, Sangmin Jung, Tatsuhiko Ohto and Hyo Jae Yoon
J. Mater. Chem. A 11, 16233 (2023).
https://doi.org/10.1039/d3ta02443a
68. 6,6′-Biindeno[1,2-b]anthracene: An Open-Shell Biaryl with High Diradical Character
Xiushang Xu, Satoshi Takebayashi, Hiroki Hanayama, Serhii Vasylevskyi, Takatsugu Onishi, Tatsuhiko Ohto, Hirokazu Tada, and Akimitsu Narita
J. Am. Chem. Soc. 145, 3891 (2023).
https://doi.org/10.1021/jacs.2c13890
67. Corrosion-resistant and high-entropic non-noble-metal electrodes for oxygen evolution in acidic media
Aimi A. H. Tajuddin, Mitsuru Wakisaka, Tatsuhiko Ohto, Yue Yu, Haruki Fukushima, Hisanori Tanimoto, Xiaoguang Li, Yoshitatsu Misu, Samuel Jeong, Jun-ichi Fujita, Hirokazu Tada, Takeshi Fujita, Masaki Takeguchi, Kaori Takano, Koji Matsuoka, Yasushi Sato, and Yoshikazu Ito
Adv. Mater. 35, 2207466 (2023).
https://doi.org/10.1002/adma.202207466
66. Coexistence of Urbach-tail-like localized states and metallic conduction channels in nitrogen-doped 3D curved graphene
Yoichi Tanabe, Yoshikazu Ito, Katsuaki Sugawara, Samuel Jeong, Tatsuhiko Ohto, Tomohiko Nishiuchi, Naoaki Kawada, Shojiro Kimura, Christopher Florencio Aleman, Takashi Takahashi, Motoko Kotani, and Mingwei Chen
Adv. Mater. 34, 2205986 (2022).
https://doi.org/10.1002/adma.202205986
65. Thermopower in Transition from Tunneling to Hopping
Sohyun Park, Jeong Woo Jo, Jiung Jang, Tatsuhiko Ohto, Hirokazu Tada, and Hyo Jae Yoon
Nano Lett. 22, 7682 (2022).
https://doi.org/10.1021/acs.nanolett.2c03083
64. The dielectric function profile across the water interface through surface-specific vibrational spectroscopy and simulations
Kuo-Yang Chiang, Takakazu Seki, Chun-Chieh Yu, Tatsuhiko Ohto, Johaness Hunger, Mischa Bonn, and Yuki Nagata
Proc. Natl. Acad. Sci. USA 119, e2204156119 (2022).https://doi.org/10.1073/pnas.2204156119
63. Controlling the Emissive, Chiroptical, and Electrochemical Properties of Double [7] Helicenes through Embedded Aromatic Rings
Juan Hong, Xuxian Xiao, Haoliang Liu, Evgenia Dmitrieva, Alexey A. Popov, Zidong Yu, Ming-De Li, Tatsuhiko Ohto, Jun Liu, Akimitsu Narita, Pengcai Liu, Hirokazu Tada, Xiao-Yu Cao, Xiao-Ye Wang, Yingping Zou, Klaus Müllen, and Yunbin Hu
Chem. Eur. J. 28, e202202243 (2022).https://doi.org/10.1002/chem.202202243
62. Polyethylene Glycol Covered Sn Catalysts Accelerate the Formation Rate of Formate by Carbon Dioxide Reduction
Samuel Jeong, Tatsuhiko Ohto, Tomohiko Nishiuchi, Yuki Nagata, Jun-ichi Fujita, and Yoshikazu Ito
ACS Catal. 11, 9962 (2021).https://doi.org/10.1021/acscatal.1c02646
61. Control of Dominant Conduction Orbitals by Peripheral Substituents in Paddle-Wheel Diruthenium Alkynyl Molecular Junctions
Shiori Ogawa, Swarup Chattopadhyay, Yuya Tanaka, Tatsuhiko Ohto, Tomofumi Tada, Hirokazu Tada, Shintaro Fujii, Tomoaki Nishino, and Munetaka Akita
Chem. Sci. 12, 10871 (2021).https://doi.org/10.1039/D1SC02407H
60. Phase-Dependent Electrochemical CO2 Reduction Ability of NiSn Alloys for Formate Generation
Yoshikazu Ito, Suresh Kukunuri, Samuel Jeong, Ganesan Elumalai, Aimi Asilah Haji Tajuddin, Zeyu Xi, Kailong Hu, and Tatsuhiko Ohto
ACS Appl. Energy Mater. 4, 7122 (2021).https://doi.org/10.1021/acsaem.1c01207
59. Geometric model of 3D curved graphene with chemical dopants
Andreas Dechant, Tatsuhiko Ohto, Yoshikazu Ito, Marina V. Makarova, Yusuke Kawabe, Tatsufumi Agari, Hikaru Kumai, Yasufumi Takahashi, Hisashi Naito, and Motoko Kotani
Carbon 182, 223 (2021).https://doi.org/10.1016/j.carbon.2021.06.004
58. Acceleration of Electrochemical CO2 Reduction to Formate at the Sn/Reduced Graphene Oxide Interface
Takuya Tsujiguchi, Yusuke Kawabe, Samuel Jeong, Tatsuhiko Ohto, Suresh Kukunuri, Hirotaka Kuramochi, Yasufumi Takahashi, Tomohiko Nishiuchi, Hideki Masuda, Mitsuru Wakisaka, Kailong Hu, Ganesan Elumalai, Jun-ichi Fujita, and Yoshikazu Ito
ACS Catal. 11, 3310 (2021).https://doi.org/10.1021/acscatal.0c04887
57. Single-Molecule Conductance of a π-Hybridized Tripodal Anchor while Maintaining Electronic Communication
Tatsuhiko Ohto, Aya Tashiro, Takuji Seo, Nana Kawaguchi, Yuichi Numai, Junpei Tokumoto, Soichiro Yamaguchi, Ryo Yamada, Hirokazu Tada, Yoshio Aso, and Yutaka Ie
Small 17, 2006709 (2021).https://doi.org/10.1002/smll.202006709
56. Improving Intramolecular Hopping Charge Transport via Periodical Segmentation of π-Conjugation in a Molecule
Yutaka Ie, Yuji Okamoto, Takuya Inoue, Takuji Seo, Tatsuhiko Ohto, Ryo Yamada, Hirokazu Tada, and Yoshio Aso
J. Am. Chem. Soc. 143, 599 (2021).https://doi.org/10.1021/jacs.0c10560
55. Catalytic Activity of Graphene-Covered Non-Noble Metals Governed by Proton Penetration in Electrochemical Hydrogen Evolution Reaction
Kailong Hu, Tatsuhiko Ohto, Yuki Nagata, Mitsuru Wakisaka, Yoshitaka Aoki, Jun-ichi Fujita, and Yoshikazu Ito
Nat. Commun. 12, 203 (2021).https://doi.org/10.1038/s41467-020-20503-7
54. Correlation between the Dipole Moment of Nonfullerene Acceptors and the Active Layer Morphology of Green-Solvent Processed P3HT-based Organic Solar Cells
Shreyam Chatterjee, Tatsuhiko Ohto, Hirokazu Tada, Seihou Jinnai, and Yutaka Ie
ACS Sustain. Chem. Eng. 8, 19013 (2020).https://doi.org/10.1021/acssuschemeng.0c07114
53. Vibrational Couplings and Energy Transfer Pathways of Water’s Bending Mode
Chun-Chieh Yu, Kuo-Yang Chiang, Masanari Okuno, Takakazu Seki, Tatsuhiko Ohto, Xiaoqing Yu, Vitaly Korepanov, Hiro-o Hamaguchi, Mischa Bonn, Johannes Hunger, and Yuki Nagata
Nat. Commun. 11, 5977 (2020).https://doi.org/10.1038/s41467-020-19759-w
52. Vibrational Mode Frequency Correction of Liquid Water in Density Functional Theory Molecular Dynamics Simulations with van der Waals Correction
Kai Zhong, Chun-Chieh Yu, Mayank Dodia, Mischa Bonn, Yuki Nagata, and Tatsuhiko Ohto
Phys. Chem. Chem. Phys. 22, 12785 (2020).https://doi.org/10.1039/C9CP06335H
51. Decoding the molecular water structure at complex interfaces through surface-specific spectroscopy of the water bending mode
Takakazu Seki, Chun-Chieh Yu, Xiaoqing Yu, Tatsuhiko Ohto, Shumei Sun, Konrad Meister, Ellen H. G. Backus, Mischa Bonn, and Yuki Nagata
Phys. Chem. Chem. Phys. 22, 10934 (2020).https://doi.org/10.1039/D0CP01269F
50. Hydrogen-Bonds and Molecular Orientations of Supramolecular Structure between Barbituric Acid and Melamine Derivative at the Air/Water Interface Revealed by Heterodyne-Detected Vibrational Sum Frequency Generation Spectroscopy
Masanari Okuno, Shuhei Yamada, Tatsuhiko Ohto, Hirokazu Tada, Waka Nakanishi, Katsuhiko Ariga, and Taka-aki Ishibashi
J. Phys. Chem. Lett. 11, 2422 (2020).
https://doi.org/10.1021/acs.jpclett.0c00329
49. Mechanical switching of current-voltage characteristics in spiropyran single-molecule junctions
Takashi Tamaki, Keigo Minode, Yuichi Numai, Tatsuhiko Ohto, Ryo Yamada, Hiroshi Masai, Hirokazu Tada, and Jun Terao
Nanoscale, 12, 7527 (2020).
https://doi.org/10.1039/D0NR00277A
48. Molecular Structure and Modeling of Water-Air and Ice-Air Interfaces Monitored by Sum-Frequency Generation
Fujie Tang, Tatsuhiko Ohto, Shumei Sun, Jeremy Rouxel, Sho Imoto, Ellen H. G. Backus, Shaul Mukamel, Mischa Bonn, and Yuki Nagata
Chem. Rev. 120, 3633 (2020).https://doi.org/10.1021/acs.chemrev.9b00512
47. Effect of Graphene Encapsulation of NiMo Alloys on Oxygen Evolution Reaction
Samuel Jeong, Kailong Hu, Tatsuhiko Ohto, Yuki Nagata, Hideki Masuda, Jun-ichi Fujita, and Yoshikazu Ito
ACS Catal. 10, 792 (2020).https://doi.org/10.1021/acscatal.9b04134
46. Impact of intermolecular vibrational coupling effects on the sum-frequency generation spectra of the water/air interface
Naveen Kumar Kaliannan, Andres Henao Aristizabal, Hendrik Wiebeler, Frederik Zysk, Tatsuhiko Ohto, Yuki Nagata, and Thomas D. Kühne
Mol. Phys. 118, 1620358 (2020).https://doi.org/10.1080/00268976.2019.1620358
45. Three Sites Molecular Orbital Controlled Single-Molecule Rectifier based on Perpendicularly Linked Porphyrin-Imide Dyads
Murni Handayani, Hirofumi Tanaka, Shinichi Katayose, Tatsuhiko Ohto, Zhijin Chen, Ryo Yamada, Hirokazu Tada, and Takuji Ogawa
Nanoscale 11, 22724 (2019).https://doi.org/10.1039/C9NR07105A
44. Effects of cis-trans Conformation Between Thiophene Rings on Conductance of Oligothiophenes
Tatsuhiko Ohto, Takuya Inoue, Helen Stewart, Yuichi Numai, Yoshio Aso, Yutaka Ie, Ryo Yamada, and Hirokazu Tada
J. Phys. Chem. Lett. 10, 5292 (2019).https://doi.org/10.1021/acs.jpclett.9b02059
43. Accessing the Accuracy of Density Functional Theory through Structure and Dynamics of the Water-Air Interface
Tatsuhiko Ohto, Mayank Dodia, Jianhang Xu, Sho Imoto, Fujie Tang, Frederik Zysk, Thomas D. Kuhne, Yasuteru Shigeta, Mischa Bonn, Xifan Wu, and Yuki Nagata
J. Phys. Chem. Lett. 10, 4914 (2019).https://doi.org/10.1021/acs.jpclett.9b01983
42. Highly Planar and Completely Insulated Oligothiophenes: Effects of π-Conjugation on Hopping Charge Transport
Yutaka Ie, Yuji Okamoto, Takuya Inoue, Saori Tone, Takuji Seo, Yasushi Honda, Shoji Tanaka, See Kei Lee, Tatsuhiko Ohto, Ryo Yamada, Hirokazu Tada, and Yoshio Aso
J. Phys. Chem. Lett. 10, 3197 (2019).https://doi.org/10.1021/acs.jpclett.9b00747
41. Structure and Dynamics of Water at the Water−Air Interface Using First Principles Molecular Dynamics Simulations II: Non-Local vs Empirical van der Waals Corrections
Mayank Dodia, Tatsuhiko Ohto, Sho Imoto, and Yuki Nagata
J. Chem. Theory Comput. 15, 3836 (2019).https://doi.org/10.1021/acs.jctc.9b00253
40. Chemical dopants on edge of holey graphene accelerate electrochemical hydrogen evolution reaction
Akichika Kumatani, Chiho Miura, Hirotaka Kuramochi, Tatsuhiko Ohto, Mitsuru Wakisaka, Yuki Nagata, Hiroki Ida, Yasufumi Takahashi, Kailong Hu, Samuel Jeong, Jun-ichi Fujita, Tomokazu Matsue, Yoshikazu Ito
Adv. Sci. 6, 1900119 (2019).
https://doi.org/10.1002/advs.201900119
39. Boosting Electrochemical Water Splitting via Ternary NiMoCo Hybrid Nanowire Arrays
Kailong Hu, Mingxing Wu, Satoshi Hinokuma, Tatsuhiko Ohto, Mitsuru Wakisaka, Jun-ichi Fujita, and Yoshikazu Ito
J. Mater. Chem. A 7, 2156 (2019).
https://doi.org/10.1039/c8ta11250a
38. Structure and Dynamics of Water at the Water-Air Interface Using First Principles Molecular Dynamics Simulations within Generalized Gradient Approximation
Tatsuhiko Ohto, Mayank Dodia, Sho Imoto, and Yuki Nagata
J. Chem. Theory Comput. 15, 595 (2019).https://doi.org/10.1021/acs.jctc.8b00567
37. Orientational Distribution of Free O-H Groups of Interfacial Water Is Exponential
Shumei Sun, Fujie Tang, Sho Imoto, Daniel R. Moberg, Tatsuhiko Ohto, Francesco Paesani, Mischa Bonn, Ellen H. G. Backus, and Yuki Nagata
Phys. Rev. Lett. 121, 246101 (2018).
https://doi.org/10.1103/PhysRevLett.121.246101
36. Single-molecule rectifiers based on voltage-dependent deformation of molecular orbitals in carbazole oligomers
Ryo Yamada, Ken Albrecht, Tatsuhiko Ohto, Keigo Minode, Kimihisa Yamamoto, and Hirokazu Tada
Nanoscale 10, 19818 (2018).
https://doi.org/10.1039/c8nr06049e
35. Large Hydrogen Bond Mismatch between TMAO and Urea Promotes Their Hydrophobic Association
Wen Jun Xie, Seoncheol Cha, Tatsuhiko Ohto, Wataru Mizukami, Yuezhi Mao, Manfred Wagner, Mischa Bonn, Johannes Hunger, and Yuki Nagata
Chem 4, 2615 (2018).
https://doi.org/10.1016/j.chempr.2018.08.020
34. Graphene Layer Encapsulation of Non-Noble Metal Nanoparticles as Acid-Stable Hydrogen Evolution Catalysts
Kailong Hu, Tatsuhiko Ohto, Linghan Chen, Jiuhui Han, Mitsuru Wakisaka, Yuki Nagata, Jun-ichi Fujita, and Yoshikazu Ito
ACS Energy Letters 3, 1539 (2018).https://doi.org/10.1021/acsenergylett.8b00739
33. Structure and Dynamics of Water at Water-Graphene and Water-Hexagonal Boron Nitride Sheet Interfaces Revealed by Ab Initio Sum-Frequency Generation Spectroscopy
Tatsuhiko Ohto, Hirokazu Tada, and Yuki Nagata
Phys. Chem. Chem. Phys. 20, 12979 (2018).https://doi.org/10.1039/c8cp01351a
32. Cooperation between holey graphene and NiMo alloy for hydrogen evolution in an acidic electrolyte
ACS Catal. 8, 3579 (2018).
https://doi.org/10.1021/acscatal.7b04091
31. Aggregation-Induced Emission Enhancement from Disilane-Bridged Donor−Acceptor−Donor Luminogens Based on the Triarylamine Functionality
Tsukasa Usuki, Masaki Shimada, Yoshinori Yamanoi, Tatsuhiko Ohto, Hirokazu Tada, Hidetaka Kasai, Eiji Nishibori, Hiroshi Nishihara
ACS Appl. Mater. Interfaces 10, 12164 (2018).https://doi.org/10.1021/acsami.7b14802
30. Definition of Free O-H Groups of Water at the Air-Water Interface
Fujie Tang, Tatsuhiko Ohto, Taisuke Hasegawa, Wen Jun Xie, Limei Xu, Mischa Bonn, Yuki Nagata
J. Chem. Theory Comput. 14, 357 (2018).https://doi.org/10.1021/acs.jctc.7b00566
29. Magnetic Field Effect on Pentacene-Doped Sexithiophene Diodes
Song-Toan Pham, Marine Fayolle, Tatsuhiko Ohto, Hirokazu Tada
Appl. Phys. Lett. 111, 203303 (2017).https://doi.org/10.1063/1.5006547
28. Analysis of Single Molecule Conductance of Heterogeneous Porphyrin Arrays by Partial Transmission Probabilities
Takashi Tamaki, Tatsuhiko Ohto, Ryo Yamada, Hirokazu Tada, and Takuji Ogawa
Chem. Select. 2, 7484 (2017).https://doi.org/10.1002/slct.201701015
27. Highly Luminescent 2D-type Slab Crystals Based on a Molecular Charge-Transfer Complex as Promising Organic Light-Emitting Transistor Materials
Sang Kyu Park, Jin Hong Kim, Tatsuhiko Ohto, Ryo Yamada, Andrew Jones, Dong Ryeol Whang, Illhun Cho, Sangyoon Oh, Jeffrey Hong, Ji Eon Kwon, Jong H. Kim, Yoann Olivier, Roland Fischer, Roland Resel, Johannes Gierschner, Hirokazu Tada, Soo Young Park
Adv. Mater. 29, 1701346 (2017).https://doi.org/10.1002/adma.201701346
26. Multi-functional Octamethyltetrasila[2.2]cyclophanes: Conformational Variations, Circularly Polarized Luminescence, and Organic Electroluminescence
Masaki Shimada, Yoshinori Yamanoi, Tatsuhiko Ohto, Song-Toan Pham, Ryo Yamada, Hirokazu Tada, Kenichiro Omoto, Shohei Tashiro, Mitsuhiko Shionoya, Mineyuki Hattori, Keiko Jimura, Shigenobu Hayashi, Hikaru Koike, Munekata Iwamura, Koichi Nozaki, Hiroshi Nishihara
J. Am. Chem. Soc. 139, 11214 (2017).
https://doi.org/10.1021/jacs.7b05671
25. Electrochemical TERS Elucidates Potential-Induced Molecular Reorientation of Adenine/Au(111)
, Tatsuhiko Ohto, Denis Andrienko, Yuki Nagata, and Katrin F. Domke
Angew. Chem. Ind. Ed. 56, 9796 (2017).https://doi.org/10.1002/anie.201704460
24. Chemisorbed and Physisorbed Water at the TiO2/Water Interface
Saman Hosseinpour, Fujie Tang, Fenglong Wang, Ruth Livingstone, Simon Schlegel, Tatsuhiko Ohto, Mischa Bonn, Yuki Nagata, and Ellen H. G. Backus
J. Phys. Chem. Lett. 8, 2195 (2017).https://doi.org/10.1021/acs.jpclett.7b00564
23. Trimethylamin-N-oxide: Hydration structure, surface activity, and biological function viewed by vibrational spectroscopy and molecular dynamics simulations
Tatsuhiko Ohto, Johannes Hunger, Ellen H. G. Backus, Wataru Mizukami, Mischa Bonn, and Yuki Nagata
Phys. Chem. Chem. Phys. 19, 6909 (2017).https://doi.org/10.1039/C6CP07284D
22. π+-π+ stacking of imidazolium cations enhances molecular layering of room temperature ionic liquid at their interfaces
Fujie Tang, Tatsuhiko Ohto, Taisuke Hasegawa, Mischa Bonn, and Yuki Nagata
Phys. Chem. Chem. Phys. 19, 2850 (2017).https://doi.org/10.1039/c6cp07034e
21. Enhancement of Carrier Mobility through Deformation Potential in Metal-Containing Insulated Molecular Wires
Tatsuhiko Ohto, Hiroshi Masai, Jun Terao, Wakana Matsuda, Shu Seki, Yasushi Tsuji, and Hirokazu Tada
J. Phys. Chem. C 120, 26637 (2016).https://doi.org/10.1021/acs.jpcc.6b08557
20. Unveiling the amphiphilic nature of TMAO by vibrational sum frequency generation spectroscopy
Tatsuhiko Ohto, Ellen H. G. Backus, Wataru Mizukami, Johannes Hunger, Mischa Bonn, and Yuki Nagata
J. Phys. Chem. C 120, 17435 (2016).https://doi.org/10.1021/acs.jpcc.6b04852
19. Molecular Modeling of Water Interfaces: From Molecular Spectroscopy to Thermodynamics
Yuki Nagata, Tatsuhiko Ohto, Ellen H. G. Backus, and Mischa Bonn
J. Phys. Chem. B 120, 3785 (2016).https://doi.org/10.1021/acs.jpcb.6b01012
18. Surface tension of ab initio liquid water at the water-air interfaceYuki Nagata, Tatsuhiko Ohto, Mischa Bonn, and Thomas D. Kühne
J. Chem. Phys. 144, 204705 (2016).https://doi.org/10.1063/1.4951710
17. Lipid carbonyl groups terminate the hydrogen bond network of membrane-bound water
Tatsuhiko Ohto, Ellen H. G. Backus, Cho-Shuen Hsieh, Marialore Sulpizi, Mischa Bonn, and Yuki Nagata
J. Phys. Chem. Lett. 6, 4499 (2015).https://doi.org/10.1021/acs.jpclett.5b02141
16. Toward ab initio molecular dynamics modeling for sum-frequency generation spectra; An efficient algorithm based on surface-specific velocity-velocity correlation function
Tatsuhiko Ohto, Kota Usui, Taisuke Hasegawa, Mischa Bonn, and Yuki Nagata
J. Chem. Phys. 143, 124702 (2015).https://doi.org/10.1063/1.4931106
15. The surface roughness, but not the water molecular orientation varies with temperature at the water-air interface
Yuki Nagata, Taisuke Hasegawa, Ellen H. G. Backus, Kota Usui, Seiji Yoshimune, Tatsuhiko Ohto, and Mischa Bonn
Phys. Chem. Chem. Phys. 17, 23559 (2015).https://doi.org/10.1039/c5cp04022a
14. Ab initio liquid water dynamics in aqueous TMAO solution
Kota Usui, Johannes Hunger, Marialore Sulpizi, Tatsuhiko Ohto, Mischa Bonn, and Yuki Nagata
J. Phys. Chem. B 119, 10597 (2015).https://doi.org/10.1021/acs.jpcb.5b02579
13. Impedance spectroscopy of organic magnetoresistance devices-Effect of interface disorder
Marine Fayolle, Mariko Yamaguchi, Tatsuhiko Ohto, and Hirokazu Tada
J. Appl. Phys. 117, 075501 (2015).https://doi.org/10.1063/1.4913272
12. Determination of the mechanism behind the organic magnetoresistance (OMAR) effect by using impedance spectroscopy
Marine Fayolle, Mariko Yamaguchi, Song Toan Pham, Tatsuhiko Ohto, and Hirokazu Tada
Int. J. Nanotechnol. 12, 238 (2015).https://doi.org/10.1504/IJNT.2015.067209
11. Thermopower of benzenedithiol and C60 molecular junctions with Ni and Au electrodes
See Kei Lee, Tatsuhiko Ohto, Ryo Yamada, and Hirokazu Tada
Nano Lett. 14, 5276 (2014).https://doi.org/10.1021/nl502305e
10. Influence of surface polarity on water dynamics at the water/rutile TiO2(110) interface
Tatsuhiko Ohto, Ankur Mishra, Seiji Yoshimune, Hisao Nakamura, Mischa Bonn, and Yuki Nagata
J. Phys.: Condens. Matter. 26, 244102 (2014).https://doi.org/10.1088/0953-8984/26/24/244102
9. Single molecular resistive switch obtained via sliding multiple anchoring points and varying effective wire length
Manabu Kiguchi, Tatsuhiko Ohto, Shintaro Fujii, Kazunori Sugiyasu, Shiegeto Nakajima, Masayuki Takeuchi, and Hisao Nakamura
J. Am. Chem. Soc. 136, 7327 (2014).https://doi.org/10.1021/ja413104g
8. Thermoelectric Efficiency of Organometallic Complex Wires via Quantum Resonance Effect and Long-Range Electric Transport Property
Hisao Nakamura, Tatsuhiko Ohto, Takao Ishida, and Yoshihiro Asai
J. Am. Chem. Soc. 135, 16545 (2013).https://doi.org/10.1021/ja407662m
7. Optical and redox properties of phenyl-capped cyclohexa[c]-oligothiophenes
Yijun Zheng, Tatsuhiko Ohto, Dian Liu, Hans-Juergen Butt, and Taichi Ikeda
Synth. Met. 181, 1 (2013).https://doi.org/10.1016/j.synthmet.2013.08.005
6. Chirality dependence of quantum thermal transport in carbon nanotubes at low temperatures: A first-principles study
Tomoyuki Hata, Hiroki Kawai, Tatsuhiko Ohto, and Koichi Yamashita
J. Chem. Phys. 139, 044711 (2013).https://doi.org/10.1063/1.4816476
5. Ab initio theory for current-induced molecular switching: Melamine on Cu(001)
Tatsuhiko Ohto, Ivan Rungger, Koichi Yamashita, Hisao Nakamura, and Stefano Sanvito
Phys. Rev. B 87, 205439 (2013).https://doi.org/10.1103/PhysRevB.87.205439
4. Polarizable Site Charge Model at Liquid/Solid Interfaces for Describing Surface Polarity: Application to Water/Rutile TiO2(110) Interface
Hisao Nakamura, Tatsuhiko Ohto, and Yuki Nagata
J. Chem. Theory Comput. 9, 1193 (2013).https://doi.org/10.1021/ct300998z
3. First-principles study of electronic structure and charge transport at PTCDA molecular layers on Ag(111) and Al(111) electrodes
Tatsuhiko Ohto, Koichi Yamashita, and Hisao Nakamura
Phys. Rev. B 84, 045417 (2011).https://doi.org/10.1103/PhysRevB.84.045417
2. Effect of Anchoring Group Position on Formation and Conductance of a Single Disubstituted Benzene Molecule Bridging Au Electrodes: Change of Conductive Molecular Orbital and Electron Pathway
Manabu Kiguchi, Hisao Nakamura, Yuuta Takahashi, Takuya Takahashi, and Tatsuhiko Ohto
J. Phys. Chem. C 114, 22254 (2010).
https://doi.org/10.1021/jp1095079
1. First-principles study of charge-density waves on Cu surfaces covered by In, Pb, and Bi atoms: Analysis of electronic structure and surface phonons
Tatsuhiko Ohto, Akihiro Nojima, Koichi Yamashita, and Hisao Nakamura
Phys. Rev. B 82, 155415 (2010).