{"id":438,"date":"2022-11-24T16:37:49","date_gmt":"2022-11-24T07:37:49","guid":{"rendered":"https:\/\/qcs.kyushu-u.ac.jp\/wp\/?page_id=438"},"modified":"2025-05-18T14:36:43","modified_gmt":"2025-05-18T05:36:43","slug":"academicpaper","status":"publish","type":"page","link":"https:\/\/qcs.kyushu-u.ac.jp\/wp\/academicpaper\/","title":{"rendered":"\u5b66\u8853\u8ad6\u6587"},"content":{"rendered":"\t\t
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2025<\/b><\/em><\/h3>
  • [125] Anion vacancies activate N2 to ammonia on Ba\u2013Si orthosilicate oxynitride-hydride<\/b>
    Zhujun Zhang, Kazuki Miyashita, Tong Wu, Jun Kujirai, Kiya Ogasawara, Jiang Li, Yihao Jiang, Masayoshi Miyazaki, Satoru Matsuishi, Masato Sasase, Tomofumi Tada<\/span>, Hideo Hosono, and Masaaki Kitano,
    Nature Chem., 17<\/b><\/span><\/em>,<\/span><\/em> 679-687 (2025).<\/span><\/li>
  • [124] Determination of Stable Proton Configurations by Black-Box Optimization Using an Ising Machine<\/b>
    Jianbo\u00a0Lin<\/span>, Tomofumi Tada<\/span>, Ai Koizumi, Masato Sumita, Koji Tsuda, and Ryo Tamura,
    J. Chem. Phys. C, 129<\/b><\/span><\/em>,<\/span><\/em> 2332-2340 (2025).<\/span><\/li>
  • [123] Fluoride superionic conduction in TlF with the new anti-\u03b1-CuBr structure containing intrinsic F vacancies<\/b>
    Kazuki Tani, Tomofumi Tada<\/span>, and Tsuyoshi Takami,
    J. Mater. Chem. A, 13<\/b><\/span><\/em>,<\/span><\/em> 1478-1484 (2025).<\/span><\/li><\/ul>

    2024<\/b><\/em><\/h3>
    • [122] Fluoride-Ion Conduction by Synergic Rotation of the Anion Sublattice for Tl4.5 Sn F8.5 Analogues<\/b>
      Tsuyoshi Takami, Nozomu Yasufuku, Mariia Ivonina, Tomofumi Tada<\/span>, Kazuki Tani, Chanachai Pattanathummasid, and Kazuhiro Mori,
      Chem. Mater., 36<\/b><\/span><\/em>,<\/span><\/em> 8488-8495 (2024).<\/span><\/li><\/ul>

      2023<\/b><\/em><\/h3>
      • [121] Topological insulator as an efficient catalyst for oxidative carbonylation of amines<\/b>
        Jiang Li, Jiazhen Wu, Sang-won Park, Masato Sasase, Tian-Nan Ye, Yangfan Lu, Masayoshi Miyazaki, Toshiharu Yokoyama, Tomofumi Tada<\/span>, Masaaki Kitano, Hideo Hosono,
        Science Advances, 9<\/b><\/span><\/em>,<\/span><\/em> eadh9104 (2023).<\/span><\/li>
      • [120] Single-Molecule Identification of Nucleotides Using a Quantum Computer<\/b>
        Masateru Taniguchi, Takahito Ohshiro, Tomofumi Tada<\/span>,
        The Journal of Physical Chemistry B, 127<\/b><\/span><\/em>,<\/span><\/em> 6636-6642 (2023).<\/span><\/li>
      • [119] Quasielastic neutron scattering probing\u00a0 H- dynamics in the H- conductors<\/b>
        Hiromu Tamatsukuri, Keiga Fukui, Soshi Iimura, Takashi Honda, Tomofumi Tada<\/span>, Youichi Murakami, Jun-ichi Yamaura, Yoshio Kuramoto, Hajime Sagayama, Takeshi Yamada, Masato Matsuura, Kaoru Shibata, Maiko Kofu, Yukinobu Kawakita, Kazutaka Ikeda, Toshiya Otomo, Hideo Hosono,
        Physical Review B, 107<\/b><\/span><\/em>,<\/span><\/em> 184114 (2023).<\/span><\/li>
      • [118] Collective bending motion of a two-dimensionally correlated bowl-stacked columnar liquid crystalline assembly under a shear force<\/b>
        Yoshiaki Shoji, Ryo Komiyama, Miki Kobayashi, Atsuko Kosaka, Takashi Kajitani, Rie Haruki, Reiji Kumai, Shin-ichi Adachi, Tomofumi Tada<\/span>, Naoyuki Karasawa, Hiroshi Nakano, Hisao Nakamura, Hidehiro Sakurai, Takanori Fukushima,
        Science Advances, 9<\/b><\/span><\/em>,<\/span><\/em> eadg8202 (2023).<\/span><\/li><\/ul>

        2022<\/b><\/em><\/h3>
        • [117] Electride Formation in Ba\u2013P System and the Unexpected Structure Transition of Electrides under Pressure<\/b>
          Wenli Cheng, Kun Li, Tomofumi Tada<\/span>, Hideo Hosono, and Junjie Wang,
          J. Phys. Chem. C, 126<\/b><\/span><\/em>,<\/span><\/em> 16815-16824 (2022).<\/span><\/li>
        • [116] Resource estimations for the Hamiltonian simulation in correlated electron materials<\/b>
          S. Kanno, S. Endo, T. Utsumi, and T. Tada<\/span>,
          Phys. Rev. A, 106<\/b><\/span><\/em>,<\/span><\/em> 012612 (2022).<\/span><\/li>
        • [115] Coordination polymer design for fast proton conduction: Hybrid atomistic approach based on kinetic Monte Carlo and molecular<\/b>
          Albert Iskandarov, Tomofumi Tada<\/span>,
          Materials & Design, 222<\/b><\/span><\/em>,<\/span><\/em> 111094 (2022).<\/span><\/li>
        • [114] Suppression of Rayleigh Scattering in Silica Glass by Co-doping of Boron and Fluorine: Molecular Dynamics Simulations with Force-Matching and Neural Network Potentials<\/b>
          Shingo Urata, Nobuhiro Nakamura, Tomofumi Tada,<\/span>\u00a0Aik Rui Tan, Rafael Gomez-Bombarelli, Hideo Hosono,
          J. Phys. Chem. C, 126<\/b><\/span><\/em>,<\/span><\/em> 2264-2275 (2022).<\/span><\/li>
        • [113] Room-temperature fast H- conduction in oxygen-substituted lanthanum hydride<\/b>
          Keiga Fukui, Soshi Iimura, Albert Iskandarov, Tomofumi Tada<\/span>, and Hideo Hosono,
          J.Am. Chem. Soc., 144<\/b><\/span><\/em>,<\/span><\/em> 1523-1527 (2022).<\/span><\/li>
        • [112] Characteristic mechanism for fast H- conduction in LaH2.5O0.25<\/b>
          Albert Iskandarov, Tomofumi Tada<\/span>, Soshi Iimura, Hideo Hosono,
          Acta Materialia, <\/span><\/em>230<\/strong>,<\/span><\/em> 117825 (2022).<\/span><\/li><\/ul>

          2021<\/b><\/em><\/h3>
          • [111] Control of Dominant Conduction Orbitals by Peripheral Substituents in Paddle-Wheel Diruthenium Alkynyl Molecular Junctions<\/b>
            Shiori Ogawa, Swarup Chattopadhyay, Yuya Tanaka, Tatsuhiko Ohto, Tomofumi Tada<\/span>, Hirokazu Tada, Shintaro Fujii, Tomoaki Nishino, Munetaka Akita,
            Chem. Sci., <\/span><\/em>12<\/strong>,<\/span><\/em> 10871-10877 (2021).<\/span><\/li>
          • [110] Electronic correlation strength of inorganic electrides by first-principles calculations<\/b>
            Shu Kanno, Tomofumi Tada<\/span>, Takeru Utsumi, Kazuma Nakamura, Hideo Hosono,
            J. Phys. Chem. Lett., <\/span><\/em>12<\/strong>,<\/span><\/em> 12020-12025 (2021).<\/span><\/li>
          • [109] Accurate meso-scale dynamics by kinetic Monte Carlo simulation via free energy multicanonical sampling: oxygen vacancy diffusion in BaTiO3<\/sub><\/b>
            Hiroya Nakata, Masaaki Araidai, Shandan Bai, Hiromichi Hirano, and\u00a0Tomofumi Tada<\/u>,
            Sci. Technol. Adv. Mater.: Methods, <\/span><\/em>1<\/strong>,<\/span><\/em> 109-122 (2021).<\/span><\/li>
          • [108] Organometallic Molecular Wires with Thioacetylene Backbones, trans-{RS-(C\u2261C)n}2Ru(phosphine)4: High Conductance Through Non-Aromatic Bridging Linkers
            <\/b>Atsushi Yashiro, Yuya Tanaka,\u00a0Tomofumi Tada<\/u>, Shintaro Fujii, Tomoaki Nishino, Munetaka Akita,
            Chemistry – A European Journal, 27<\/strong>,<\/span><\/em> 9666-9673 (2021).<\/span><\/li>
          • [107] Molecular dynamics study on the co-doping effect of Al2<\/sub>O3<\/sub> and Fluorine to reduce Rayleigh scattering of silica glass with a force-matching potential
            <\/b>Shingo Urata, Nobuhiro Nakamura,\u00a0Tomofumi Tada<\/u>, Hideo Hosono,
            J. Am. Ceram. Soc., <\/span><\/em>10<\/strong>, 5001-5015 (2021).<\/span><\/li>
          • [106] How fluorine minimizes density fluctuations of silica glass: Molecular dynamics study with machine-learning assisted force-matching potential
            <\/b>Shingo Urata, Nobuhiro Nakamura, Kento Aiba,\u00a0Tomofumi Tada<\/u>, Hideo Hosono,
            Materials & Design\u00a0<\/span><\/em>197<\/b>, 109210 (2021).<\/span><\/li>
          • [105] Stabilization Factor of Anion-Excess Fluorite Phase for Fast Anion Conduction
            <\/b>Keiga Fukui, Soshi Iimura, Junjie Wang,Tomofumi Tada<\/u>, Takashi Honda, Kazutaka Ikeda, Toshiya Otomo, Hideo Hosono,
            Chem. Mat. 33<\/strong><\/span><\/em>, 1867-1874 (2021).<\/span><\/li>
          • [104] Many-body calculations for periodic materials via restricted Boltzmann machine-based VQE
            <\/b>Shu Kanno and\u00a0Tomofumi Tada<\/u>,
            Quantum Sci. Technol.\u00a0<\/span><\/em>6<\/b>, 025015 (2021).<\/span><\/li>
          • [103] Single-molecule junctions of multinuclear organometallic wires: long-range carrier transport brought about by metal\u2013metal interaction
            <\/b>Yuya Tanaka, Yuya Kato, Kaho Sugimoto, Reo Kawano,\u00a0Tomofumi Tada<\/u>, Shintaro Fujii, Manabu Kiguchi, Munetaka Akita,
            Chem. Sci. 12<\/strong><\/span><\/em>, 4338-4344 (2021).<\/span><\/li><\/ul>

            2020<\/b><\/em><\/h3>
            • [102] Crystal and Electronic Structure Engineering of Tin Monoxide by External Pressure<\/b>
              Kun Li, Junjie Wang, Vladislav A Blatov, Yutong Gong, Naoto Umezawa,\u00a0Tomofumi Tada<\/u>, Hideo Hosono, Artem R Oganov,
              Journal of Advanced Ceramics, 10<\/b>,<\/span><\/em> 565-577 (2020).<\/span><\/li>
            • [101] Single-Molecule Junction of a Cationic Rh(III) Polyyne Molecular Wire
              <\/b>Yuya Tanaka, Kohei Ohmura, Shintaro Fujii,\u00a0Tomofumi Tada<\/u>, Manabu Kiguchi, Munetaka Akita,
              Inorg. Chem.,\u00a0<\/span><\/em>59<\/b>, 13254-13261 (2020).<\/span><\/li>
            • [100] Vacancy-enabled N2<\/sub> activation for ammonia synthesis on an Ni-loaded catalyst
              <\/b>Tian-Nan Ye, Sang-Won Park, Yangfan Lu, Jiang Li, Masato Sasase, Yasukazu Kobayashi, Masaaki Kitano,\u00a0Tomofumi Tada<\/u>, and Hideo Hosono,
              Nature,\u00a0<\/span><\/em>583<\/b>, 391-395 (2020).<\/span><\/li>
            • [99] Computational Prediction of Boron-Based MAX Phases and Mxene Derivatives
              <\/b>Nanxi Miao, Junjie Wang, Yutong Gong, Jiazhen Wu, Haiyang Niu, Shiyao Wang, Kun Li, Artem R. Oganov,\u00a0Tomofumi Tada<\/u>, and Hideo Hosono,
              Chem. Mater.,\u00a0<\/span><\/em>32<\/b>, 6947-6957 (2020).<\/span><\/li>
            • [98] Hybrid Molecular Junctions Using Au\u2013S and Au\u2013\u03c0 Bindings
              <\/b>Shintaro Fujii, Madoka Iwane, Shunsuke Furukawa,\u00a0Tomofumi Tada<\/u>, Tomoaki Nishino, Masaichi Saito, Manabu Kiguchi,
              J. Phys.Chem. C,\u00a0<\/span><\/em>124<\/b>, 9261-9268 (2020).<\/span><\/li>
            • [97] Transition Metal doped Ru Nanoparticles Loaded on Metal Hydrides for Efficient Ammonia Synthesis from First Principles
              <\/b>Takuya Nakao,\u00a0Tomofumi Tada<\/u>, Hideo Hosono,
              J. Phys.Chem. C,\u00a0<\/span><\/em>124<\/b>, 1529-1534 (2020).<\/span><\/li>
            • [96] First-Principles and Microkinetic Study on the Mechanism for Ammonia Synthesis Using Ru-Loaded Hydride Catalyst
              <\/b>Takuya Nakao,\u00a0Tomofumi Tada<\/u>, Hideo Hosono,
              J. Phys.Chem. C,\u00a0<\/span><\/em>124<\/b>, 2070-2078 (2020).<\/span><\/li>
            • [95] The role of lattice vibration in the terahertz region for proton conduction in 2D metal-organic frameworks
              <\/b>Tomoya Itakura, Hiroshi matsui,\u00a0Tomofumi Tada<\/u>, Susumu Kitagawa, Aude Demessence, and Datoshi Horike,
              Chem. Sci.,\u00a0<\/span><\/em>11<\/b>, 1538-1541 (2020).<\/span><\/li><\/ul>

              2019<\/b><\/em><\/h3>
              • [94] Low-Temperature Synthesis of Perovskite Oxynitride-Hydrides as Ammonia Synthesis Catalysts<\/b>
                Masaaki Kitano, Jun Kujirai, Kiya Ogasawara, Satoru Matsuishi,\u00a0Tomofumi Tada<\/u>, Hitoshi Abe, Yasuhiro Niwa, and Hideo Hosono,
                J. Am. Chem. Soc.,\u00a0<\/span><\/em>141<\/b>, 20344-20353 (2019).<\/span><\/li>
              • [93] Characteristic fast H\u207b ion conduction in oxygen-substituded Lanthanum hydride
                <\/b>Keiga Fukui, Soshi Iimura,\u00a0Tomofumi Tada<\/u>, Satoru Fujitsu, Masato Sasase, Hiromu Tamasukuri, Takashi Honda, Kazutaka Ikeda, Toshiya Otomo, and Hideo Hosono,
                Nature Commun.,\u00a0<\/span><\/em>10<\/b>, 2578 (2019).<\/span><\/li>
              • [92] Palladium-bearing intermetallic electride as an efficient and stable catalyst for Suzuki cross-coupling reactions
                <\/b>Tian-Nan Ye, Yangfan Lu, Zewen Xiao, Jiang Li, Takuya Nakao, Hitoshi Abe, Yasuhiro Niwa, Masaaki Kitano,\u00a0Tomofumi Tada<\/u>, and Hideo Hosono,
                Nature Commun.,\u00a0<\/span><\/em>10<\/b>, 5653 (2019).<\/span><\/li>
              • [91] Discovery of hexagonal ternary phase Ti2<\/sub>InB2<\/sub> and its evolution to layered boride TiB
                <\/b>Junjie Wang, Tian-Nan Ye, Yutong Gong, Jiazhen Wu, Nanxi Miao,\u00a0Tomofumi Tada<\/u>, and Hideo Hosono,
                Nature Commun.,\u00a0<\/span><\/em>10<\/b>, 2284 (2019).<\/span><\/li>
              • [90] Triptycene Tripods for the Formation of Highly Uniform and Densely Packed Self-Assembled Monolayers with Controlled Molecular Orientation
                <\/b>Fumitaka Ishiwari, Giulia Nascimbeni, Eric Sauter, Hiromu Tago, Yoshiaki Shoji, Shintaro Fujii, Manabu Kiguchi,Tomofumi Tada<\/u>, Michael Zharnikov, Egbert Zojer, Takanori Fukushima,
                J. Am. Chem. Soc.,\u00a0<\/span><\/em>141<\/b>, 5995-6005 (2019).<\/span><\/li>
              • [89] First-Principles Study of the Adsorption Behavior of Triptycene Molecular Tripods on Au(111): Site-Selectivity and Unambiguous Molecular Orientation
                <\/b>Tomofumi Tada<\/u>, Fumitaka Ishiwari, Yoshiaki Shoji, and Takanori Fukushima,
                J. Phys. Chem. C,\u00a0<\/span><\/em>123<\/b>, 4401-4406 (2019).<\/span><\/li>
              • [88] Anionic Ferrocene and its Unique Electronic State
                <\/b>Masaichi Saito, Naoki Matsunaga, Jumpei Hamada, Shunsuke Furukawa,\u00a0Tomofumi Tada<\/u>, and Rolfe H. Herber,
                Chem. Lett.,\u00a0<\/span><\/em>48<\/b>, 163 (2019).<\/span><\/li><\/ul>

                2018<\/b><\/em><\/h3>
                • [87] Ring Shape-Dependent Self-Sorting of Pillar[n]arenes Assembled on a Surface<\/b>
                  Tomoki Ogoshi, Shu Takashima, Natsumi Inada, Hitoshi Asakawa, Takeshi Fukuma, Yoshiaki Shoji, Takashi Kajitani, Takanori Fukushima,\u00a0Tomofumi Tada<\/u>, Tomonori Dotera, and Tada-aki Yamagishi,
                  Comms. Chem.,\u00a0<\/span><\/em>1<\/b>, 92 (2018).<\/span><\/li>
                • [86] Enhanced Catalytic Ammonia Synthesis with Transformed BaO
                  <\/b>Masashi Hattori, Taiyo Mori, Takahiro Arai, Yasunori Inoue, Masato Sasase,\u00a0Tomofumi Tada<\/u>, Masaaki Kitano, Toshiharu Yokoyama, Michikazu Hara, and Hideo Hosono,
                  ACS Catal.,\u00a0<\/span><\/em>8<\/b>, 10977-10984 (2018).<\/span><\/li>
                • [85] \u201cDoping\u201d of Polyyne with An Organometallic Fragment Leads to Highly Conductive Metallapolyyne Molecular Wire
                  <\/b>Yuya Tanaka, Yuya Kato,\u00a0Tomofumi Tada<\/u>, Shintaro Fujii, Manabu Kiguchi, and Munetaka Akita,
                  J. Am. Chem. Soc,\u00a0<\/span><\/em>140<\/b>, 10080-10084 (2018).<\/span><\/li>
                • [84] Wave-packet multi-scale simulations based on a non-linear tight-binding Hamiltonian for carrier transport in \u03c0-conjugated polymers
                  <\/b>Tomofumi Tada<\/u>,
                  Mater. Chem. Front.,\u00a0<\/span><\/em>2<\/b>, 1351-1359 (2018).<\/span><\/li>
                • [83] Realization of Mott-insulating electrides in dimorphic Yb5<\/sub>Sb3
                  <\/sub><\/b>YangfanLu, Jiang Li, Jiazhen Wu, Shu Kanno,\u00a0Tomofumi Tada<\/u>, and Hideo Hosono,
                  Phys. Rev. B,\u00a0<\/span><\/em>98<\/b>, 125128 (2018).<\/span><\/li>
                • [82] Controlling Stacking Order and Charge Transport in pi-Stacks of Aromatic Molecules Based on Surface Assembly
                  <\/b>Madoka Iwane,\u00a0Tomofumi Tada<\/u>, Takafumi Osuga, Takashi Murase, Makoto Fujita, Manabu Kiguchi, Shintaro Fujii,
                  Chem. Comm.,\u00a0<\/span><\/em>54<\/b>, 12443-12446 (2018).<\/span><\/li>
                • [81] Large Oblate Hemispheroidal Ruthenium Particles Supported on Calcium Amide as Efficient Catalysts for Ammonia Decomposition
                  <\/b>Kazuhisa Kishida, Masaaki Kitano, Yasunori Inoue, Masato Sasase, Takuya Nakao,\u00a0Tomofumi Tada<\/u>, Hitoshi Abe, Yasuhiro Niwa, Toshiharu Yokoyama, Michikazu Hara, and Hideo Hosono,
                  Chem. Eur. J.,\u00a0<\/span><\/em>24<\/b>, 7976-7984 (2018).<\/span><\/li>
                • [80] High Electron Density on Ru in Intermetallic YRu2<\/sub>: The Application to Catalyst for Ammonia Synthesis
                  <\/b>Takaya Ogawa, Yasukazu Kobayashi, Hiroshi Mizoguchi, Masaaki Kitano, Hitoshi Abe,\u00a0Tomofumi Tada<\/u>, Yoshitake Toda, Yasuhiro Niwa, and Hideo Hosono,
                  J. Phys. Chem. C,\u00a0<\/span><\/em>122<\/b>, 10468-10475 (2018).<\/span><\/li>
                • [79] Dopant driven tuning of hydrogen oxidation mechanism at the pore\/nickel\/zirconia triple phase boundary
                  <\/b>Albert M. Iskandarov and\u00a0Tomofumi Tada<\/u>,
                  Phys. Chem. Chem. Phys.,\u00a0<\/span><\/em>20<\/b>, 12574-12588 (2018).<\/span><\/li>
                • [78] Ternary intermetallic LaCoSi as a catalyst for N2<\/sub> activation
                  <\/b>Yutong Gong, Jiazhen Wu, Masaaki Kitano, Junjie Wang, Tian-nan Ye, Yasukazu Kobayashi, Kazuhisa Kishida, Hongsheng Yang,\u00a0Tomofumi Tada<\/u>, and Hideo Hosono,
                  Nature Catalysis,\u00a0<\/span><\/em>1<\/b>, 178-185 (2018).<\/span><\/li>
                • [77] Self-organized Ruthenium-Barium Core-Shell Nanoparticles on a Mesoporous Calcium Amide Matrix for Efficient Low-Temperature Ammonia Synthesis
                  <\/b>Masaaki Kitano, Yasunori Inoue, Masato Sasase, Kazuhisa Kishida, Yasukazu Kobayashi, Kohei Nishiyama,\u00a0Tomofumi Tada<\/u>, Shigeki Kawamura, Toshiharu Yokoyama, Michikazu Hara, and Hideo Hosono,
                  Angew. Chem. Int. Ed.,\u00a0<\/span><\/em>57<\/b>, 2648-2652 (2018).<\/span><\/li><\/ul>

                  2017<\/b><\/em><\/h3>
                  • [76] First principles evolutionary search for new electrides along the dimensionality of anionic electrons<\/b>
                    Tomofumi Tada<\/u>, Junjie Wang, and Hideo Hosono,
                    J. Comput. Chem. Jpn.,\u00a0<\/span><\/em>16<\/b>, 135-138 (2017).<\/span><\/li>
                  • [75] Anchoring Bond between Ru and N Atoms of Ru\/Ca2<\/sub>NH Catalyst: Crucial for the High Ammonia Synthesis Activity
                    <\/b>Hitoshi Abe, Yasuhiro Niwa, Masaaki Kitano, Yasunori Inoue, Masato Sasase, Takuya Nakao,\u00a0Tomofumi Tada<\/u>, Toshiharu Yokoyama, Michikazu Hara, Hideo Hosono,
                    J. Phys. Chem. C,\u00a0<\/span><\/em>121<\/b>, 20900-20904 (2017).<\/span><\/li>
                  • [74] Predictive Microkinetic Model for Solid Oxide Fuel Cell Patterned Anode: Based on an Extensive Literature Survey and Exhaustive Simulations
                    <\/b>Shixue Liu, Arief Mohammad, Kazuya Mihara, Takayoshi Ishimoto,\u00a0Tomofumi Tada<\/u>, and Michihisa Koyama,
                    J. Phys. Chem. C,\u00a0<\/span><\/em>121<\/b>, 19069-19079 (2017).<\/span><\/li>
                  • [73] Copper-Based Intermetallic Electride Catalyst for Chemoselective Hydrogenation Reactions
                    <\/b>Tian-Nan Ye, Yangfan Lu, Jiang Li, Takuya Nakao, Hongsheng Yang,\u00a0Tomofumi Tada<\/u>, Masaaki Kitano and Hideo Hosono,
                    J. Am. Chem. Soc,\u00a0<\/span><\/em>139<\/b>, 17089-17097 (2017).<\/span><\/li>
                  • [72] Exploration of Stable Strontium Phosphide-Based Electrides: Theoretical Structure Prediction and Experimental Validation
                    <\/b>Junjie Wang, Kota Hanzawa, Hidenori Hiramatsu, Junghwan Kim, Naoto Umezawa, Koki Iwanaka,\u00a0Tomofumi Tada<\/u>, and Hideo Hosono,
                    J. Am. Chem. Soc.,\u00a0<\/span><\/em>139<\/b>, 15668-15680 (2017).<\/span><\/li>
                  • [71] Semimetallic Two-Dimensional TiB12<\/sub>: Improved Stability and Tunable Electronic Properties by Mechanical Strain
                    <\/b>Junjie Wang, Mohammad Khazaei, Masao Arai, Naoto Umezawa,\u00a0Tomofumi Tada<\/u>, and Hideo Hosono,
                    Chem. Mater.,\u00a0<\/span><\/em>29<\/b>, 5922-5930 (2017).<\/span><\/li>
                  • [70] First-Principles Study of Dopant Effect on Hydrogen Oxidation in Anode of Solid Oxide Fuel Cell
                    <\/b>Albert M. Iskandarov and\u00a0Tomofumi Tada<\/u>,
                    ECS Transactions,\u00a0<\/span><\/em>78<\/b>, 1469-1475 (2017).<\/span><\/li>
                  • [69] Full Atomistic Kinetic Monte Carlo and First Principles Study on Electromotive Force of SOFC with Direct Counting Approach
                    <\/b>Tomofumi Tada<\/u>,
                    ECS Transactions,\u00a0<\/span><\/em>78<\/b>, 2815-2822 (2017).<\/span><\/li>
                  • [68] Multi-Scale, Multi-Physics Approach for Solid Oxide Fuel Cell Anode Reaction
                    <\/b>S. Liu, S. Liu, L. C. Saha, A. M. Iskandarov, Z. Jiao, S. Hara, T. Ishimoto,\u00a0T. Tada<\/u>, Y. Umeno, N. Shikazono, S. Matsumura, and M. Koyama
                    ECS Transactions,\u00a0<\/span><\/em>78<\/b>, 2835-2844 (2017).<\/span><\/li>
                  • [67] Triphosphasumanene Trisulfide: High Out-of-Plane Anisotropy and Janus-Type pi-Surfaces
                    <\/b>Shunsuke Furukawa, Yuki Suda, Junji Kobayashi, Takayuki Kawashima,\u00a0Tomofumi Tada<\/u>, Shintaro Fujii, Manabu Kiguchi, Masaichi Saito,
                    J. Am. Chem. Soc.,\u00a0<\/span><\/em>139<\/b>, 5787-5792 (2017).<\/span><\/li>
                  • [66] Interlayer states arising from anionic electrons in the honeycomb-lattice-based compounds AeAlSi (Ae = Ca, Sr, Ba)
                    <\/b>Yangfan Lu,\u00a0Tomofumi Tada<\/u>, Yoshitake Toda, Shigenori Ueda, Jiazhen Wu, Jiang Li, Yaoqing Zhang, and Hideo Hosono,
                    Phys. Rev. B,<\/span><\/em>\u00a095<\/b>, 125117 (2017).<\/span><\/li>
                  • [65] A Stable, Soluble, and Crystalline Supramolecular System with a Triplet Ground State
                    <\/b>Tsukasa Futagoishi, Tomoko Aharen, Tatsuhisa Kato, Azusa Kato, Toshiyuki Ihara,\u00a0Tomofumi Tada<\/u>, Michihisa Murata, Atsushi Wakamiya, Hiroshi Kageyama, Yoshihiko Kanemitsu, and Yasujiro Murata,
                    Angew. Chem. Int. Ed.\u00a0<\/span><\/em>129<\/b>, 4325-4329 (2017).<\/span><\/li>
                  • [64] Surface electron states on the quasi-two-dimensional excess-electron compounds Ca2<\/sub>N and Y2<\/sub>C
                    <\/b>Takeshi Inoshita, Seiji Takemoto,\u00a0Tomofumi Tada<\/u>, and Hideo Hosono,
                    Phys. Rev. B,<\/span><\/em>\u00a095<\/b>, 165430 (2017).<\/span><\/li><\/ul>

                    2016<\/b><\/em><\/h3>
                    • [63] The Key Indicator for the Control of Metal Particle Sizes on Supports from First Principles and Experimental Observation
                      <\/b>Takuya Nakao,\u00a0Tomofumi Tada<\/u>, Masaaki Kitano, Masato Sasase, and Hideo Hosono,
                      J. Phys. Chem. C,<\/span><\/em>\u00a0120<\/b>, 21879-21887 (2016).<\/span><\/li>
                    • [62]Resolving metal-molecule interfaces at single-molecule junctions
                      <\/b>Yuki Komoto, Shintaro Fujii, Hisao Nakamura,\u00a0Tomofumi Tada<\/u>, Tomoaki Nishino, and Manabu Kiguchi,
                      Sci. Rep.,\u00a0<\/span><\/em>6<\/b>, 26606 (2016).<\/span><\/li>
                    • [61] Difficulty of Carrier Generation in orthorhombic PbO
                      <\/b>Min Liao, Seiji Takemoto, Zewen Xiao, Yoshitake Toda,\u00a0Tomofumi Tada<\/u>, Shigenori Ueda, Toshio Kamiya, and Hideo Hosono,
                      J. Appl. Phys.,\u00a0<\/span><\/em>119<\/b>, 165701 (2016).<\/span><\/li>
                    • [60] Organometallic Molecular Wires as Versatile Modules for Energy-Level Alignment of the Metal-Molecule-Metal Junction
                      <\/b>Kaho Sugimoto, Yuya Tanaka, Shintaro Fujii,\u00a0Tomofumi Tada<\/u>, Manabu Kiguchi, and Munetaka Akita,
                      Chem. Comm.,\u00a0<\/span><\/em>52<\/b>, 5796-5799 (2016).<\/span><\/li>
                    • [59] Water Durable Electride Y5<\/sub>Si3<\/sub>: Electronic Structure and Catalytic Activity for Ammonia Synthesis
                      <\/b>Yangfan Lu, Jiang Li,\u00a0Tomofumi Tada<\/u>, Yoshitake Toda, Shigenori Ueda, Toshiharu Yokoyama, Masaaki Kitano, and Hideo, Hosono,
                      J. Am. Chem. Soc.,\u00a0<\/span><\/em>138<\/b>, 3970-3973 (2016).<\/span><\/li>
                    • [58]Essential role of hydride ion in ruthenium-based ammonia synthesis catalysts
                      <\/b>Masaaki Kitano, Yasunori Inoue, Hiroki Ishikawa, Kyosuke Yamagata, Takuya Nakao,\u00a0Tomofumi Tada<\/u>, Satoru Matsuishi, Toshiharu Yokoyama, Michikazu Hara and Hideo Hosono,
                      Chem. Sci.,<\/span><\/em>\u00a07<\/b>, 4036-4043 (2016).<\/span><\/li>
                    • [57] Theoretical study on temperature-effect of electronic structure and spin states in LaCoO3<\/sub> by using density functional theory
                      <\/b>Takayoshi Ishimoto, Yumi Ito,\u00a0Tomofumi Tada<\/u>, Ryo Oike, Takashi Nakamura, Koji Amezawa, and Michihisa Koyama,
                      Solid State Ionics,<\/span><\/em>\u00a0285<\/b>, 195-201 (2016).<\/span><\/li>
                    • [56] Zirconium-peroxo embedded in non-stoichiometric yttria stabilized zirconia (110) from first-principles
                      <\/b>Seiji Takemoto and\u00a0Tomofumi Tada<\/u>,
                      Solid State Ionics,\u00a0<\/span><\/em>285<\/b>, 215-221 (2016).<\/span><\/li><\/ul>

                      2015<\/b><\/em><\/h3>
                      • [55] Molecular designing with Orbital Rule for Electron Transport: Toward Conductance-Decay Free Molecular junctions<\/b>
                        Tomofumi Tada<\/u>\u00a0and Kazunari Yoshizawa,
                        Phys. Chem. Chem. Phys.,\u00a0<\/span><\/em>17<\/b>, 32099-32110 (2015).<\/span><\/li>
                      • [54] Rectifying Electron-Transport Properties through Stacks of Aromatic Molecules Inserted into a Self-Assembled Cage
                        <\/b>Shintaro Fujii,\u00a0Tomofumi Tada<\/u>, Yuki Komoto, Takafumi Osuga, Takashi Murase, Makoto Fujita, and Manabu Kiguchi,
                        J. Am. Chem. Soc.,\u00a0<\/span><\/em>137<\/b>, 5939-5947 (2015).<\/span><\/li>
                      • [53] Theoretical Study on Oxygen Dissociation Reaction on LaSrCoO3
                        <\/sub><\/b>Seiji Takemoto and\u00a0Tomofumi Tada<\/u>,
                        ECS Transactions,\u00a0<\/span><\/em>68<\/b>, 3203-3207 (2015).<\/span><\/li>
                      • [52] First-principles study of surface peroxo in oxygen-rich yttria stabilized zirconia(110)
                        <\/b>T. Ishimoto, K. Sato,\u00a0T. Tada<\/u>, K. Amezawa, and M. Koyama,
                        ECS Transactions,\u00a0<\/span><\/em>68<\/b>, 651-655 (2015).<\/span><\/li>
                      • [51] Systematic Modeling for Triple Phase Boundary of Ni\/ZrO2<\/sub> SOFC Anode from First Principles
                        <\/b>Tomofumi Tada<\/u>,
                        ECS Transactions\u00a0<\/span><\/em>68<\/b>, 2875-2885 (2015).<\/span><\/li><\/ul>

                        2014<\/b><\/em><\/h3>
                        • [50] High-throughput ab initio screening for two-dimensional electride materials<\/b>
                          Tomofumi Tada<\/u>, Seiji Takemoto, Satoru Matsuishi, and Hideo Hosono,
                          Inorg. Chem.,\u00a0<\/span><\/em>53<\/b>, 10347-10358 (2014).<\/span><\/li>
                        • [49] Conduction paths in Cu\/amorphous-Ta2<\/sub>O5<\/sub>\/Pt atomic switch: First-principles studies
                          <\/b>Bo Xiao, Tingkun Gu,\u00a0Tomofumi Tada<\/u>, and Satoshi Watanabe,
                          J. Appl. Phys.\u00a0<\/span><\/em>115<\/b>, 034503 (2014).<\/span><\/li>
                        • [48] Anomalous metallic-like transport of Co-Pd ferromagnetic nanoparticles cross-linked with \u03c0-conjugated molecules having a rotational degree of freedom
                          <\/b>Yoshikazu Ito, Kazuyuki Takai, Akira Miyazaki, Vajiravelu Sivamurugan, Manabu Kiguchi, Yoshihiro Ogawa, Naotake Nakamura, Suresh Valiyaveettil,\u00a0Tomofumi Tada<\/u>, Satoshi Watanabe and Toshiaki Enoki,
                          Phys. Chem. Chem. Phys.<\/span><\/em>\u00a016<\/b>, 288-296 (2014).<\/span><\/li><\/ul>

                          2013<\/b><\/em><\/h3>
                          • [47] Parallelized Meso-Scale Kinetic Monte Carlo Simulations for SOFC Characterization<\/b>
                            Tomofumi Tada<\/u>\u00a0and Naoki Watanabe,
                            ECS Transactions\u00a0<\/span><\/em>57(1)<\/b>, 2437-2447 (2013).<\/span><\/li>
                          • [46] Design principle for increasing charge mobility of pi-conjugated polymers using regularly localized molecular orbitals
                            <\/b>Jun Terao, Akihisa Wadahama, Akitoshi Matono,\u00a0Tomofumi Tada<\/u>, Satoshi Watanabe, Shu Seki, Tetsuaki Fujihara, Yasushi Tsuji,
                            Nature Commun.\u00a0<\/span><\/em>4<\/b>, 1691 (2013).<\/span><\/li>
                          • [45] Highly Conductive [3xn] Gold-Ion Clusters Enclosed within Self-Assembled Cages
                            <\/b>Manabu Kiguchi, Junichi Inatomi, Yuuta Takahashi, Ryota Tanaka, Takafumi Osuga, Takashi Murase, Makoto Fujita,\u00a0Tomofumi Tada<\/u>, and Satoshi Watanabe,
                            Angew. Chem. Int. Ed.\u00a0<\/span><\/em>52<\/b>, 6202-6205 (2013).<\/span><\/li>
                          • [44] Inelastic transient electrical currents and phonon heating in a single-level quantum dot system
                            <\/b>Wei Liu, Kenji Sasaoka, Tkahiro Yamamoto,\u00a0Tomofumi Tada<\/u>, and Satoshi Watanabe,
                            J. Appl. Phys.\u00a0<\/span><\/em>113<\/b>, 123701 (2013).<\/span><\/li><\/ul>

                            2012<\/b><\/em><\/h3>
                            • [43] Parallel-sheets model analysis of space charge layer formation at metal\/ionic conductor interfaces<\/b>
                              Shusuke Kasamatsu,\u00a0Tomofumi Tada<\/u>, and Satoshi Watanabe
                              Solid State Ionics\u00a0<\/span><\/em>226<\/b>, 62-70 (2012).<\/span><\/li>
                            • [42] Elastic Transient Energy Transport and Energy Balance in a Single-Level Quantum Dot System
                              <\/b>Wei Liu, Kenji Sasaoka, Tkahiro Yamamoto,\u00a0Tomofumi Tada<\/u>, and Satoshi Watanabe,
                              Jpn. J. Appl. Phys.\u00a0<\/span><\/em>51<\/b>, 094303 (2012).<\/span><\/li>
                            • [41] Single Molecule Conductance of Pi-Conjugated Rotaxane: New Method for Measuring Stipulated Electric Conductance of Pi-Conjugated Molecular Wire Using STM Break Junction
                              <\/b>Manabu Kiguchi, Shigeto Nakashima,\u00a0Tomofumi Tada<\/u>, Satoshi Watanabe, Susumu Tsuda, Yasushi Tsuji, and Jun Terao,
                              Small\u00a0<\/span><\/em>8<\/b>, 726-730 (2012).<\/span><\/li><\/ul>

                              2011<\/b><\/em><\/h3>
                              • [40] Molecular Orbital concept on Spin-flip Transport in Molecular junctions<\/b>
                                Tomofumi Tada<\/u>, Takahiro Yamamoto, and Satoshi Watanabe,
                                Theor. Chem. Acc.\u00a0<\/span><\/em>130<\/b>, 775-788 (2011).<\/span><\/li>
                              • [39] Electron Transport through Single Molecules Comprising Aromatic Stacks Enclosed in Self-Assembled Cages
                                <\/b>Manabu Kiguchi, Takuya Takahashi, Yuta Takahashi, Yoshihiro Yamauchi, Takashi Murase, Makoto Fujita,\u00a0Tomofumi Tada<\/u>, and Satoshi Watanabe
                                Angew. Chem. Int. Ed.\u00a0<\/span><\/em>50<\/b>, 5708-5711 (2011) [Selected Paper as an Inside Cover].<\/span><\/li>
                              • [38] Theoretical analysis of space charge layer formation at metal\/ionic conductor interfaces
                                <\/b>Shusuke Kasamatsu,\u00a0Tomofumi Tada<\/u>, and Satoshi Watanabe
                                Solid State Ionics\u00a0<\/span><\/em>183<\/b>, 20-25 (2011).<\/span><\/li><\/ul>

                                2010<\/b><\/em><\/h3>
                                • [37] Conductive Path Formation in the Ta2<\/sub>O5<\/sub>Atomic Switch: First-Principles Analyses<\/b>
                                  Tingkun Gu,\u00a0Tomofumi Tada<\/u>, and Satoshi Watanabe
                                  ACS Nano\u00a0<\/span><\/em>4<\/b>, 6477-6482 (2010).<\/span><\/li>
                                • [36] Effects of Resonant Scattering by Probe Contacts on Nanoscale Four-Probe Resistance Measurements
                                  <\/b>Asako Terasawa, Keiji Tobimatsu,\u00a0Tomofumi Tada<\/u>, Takahiro Yamamoto, and Satoshi Watanabe
                                  New J. Phys.\u00a0<\/span><\/em>12<\/b>, 083017 (2010).<\/span><\/li>
                                • [35] First Principles study of Oxygen Vacancies Near Nickel\/Zirconia Interface
                                  <\/b>Shusuke Kasamatsu,\u00a0Tomofumi Tada<\/u>, and Satoshi Watanabe
                                  e-Jounral of Surface Science and Nanotechnology\u00a0<\/span><\/em>8<\/b>, 93-100 (2010).<\/span><\/li>
                                • [34] Effects of Molecular Dynamics on Electrical Conductance of Single Molecular Junction in Aqueous Solution: First Principles Calculations
                                  <\/b>Arihiro Tawara,\u00a0Tomofumi Tada<\/u>, and Satoshi Watanabe
                                  e-Jounral of Surface Science and Nanotechnology\u00a0<\/span><\/em>8<\/b>, 38-43 (2010).<\/span><\/li><\/ul>

                                  2009<\/b><\/em><\/h3>
                                  • [33] First principles simulations on bulk Ta2<\/sub>O5<\/sub>\u00a0and Cu\/Ta2<\/sub>O5<\/sub>\/Pt hetero junction: Electronic structures and transport properties<\/b>
                                    Tingkun Gu, Zhongchang Wang,\u00a0Tomofumi Tada<\/u>, and Satoshi Watanabe
                                    J. Appl. Phys.\u00a0<\/span><\/em>106\u00a0<\/b>, 103713 (2009).<\/span><\/li>
                                  • [32] First principles calculations on electron conduction paths in solid electrolyte: Toward an understanding of the working mechanism of Atomic Switches
                                    <\/b>Satoshi Watanabe, Tingkun Gu, Zhongchang Wang, and\u00a0Tomofumi Tada
                                    <\/u>Journal of the Japan Institute of Metals\u00a0<\/span><\/em>73\u00a0<\/b>, 577 (2009).<\/span><\/li>
                                  • [31] Chemically softened boundary of metal\/vacuum\/solid-electrolyte from first principles
                                    <\/b>Tomofumi Tada<\/u> and Satoshi Watanabe
                                    J. Phys. Chem. C\u00a0<\/span><\/em>113\u00a0<\/b>, 17780 (2009).<\/span><\/li>
                                  • [30] Electrostatic and dynamical effects of an aqueous solution on the zero-bias conductance of a single molecule: A first-principles study
                                    <\/b>Arihiro Tawara,\u00a0Tomofumi Tada<\/u>, and Satoshi Watanabe
                                    Phys. Rev. B\u00a0<\/span><\/em>80<\/b>, 073409 (2009).<\/span><\/li>
                                  • [29] Comparative study of migration mechanisms of charged and neutral oxygen vacancies in cubic zirconia from first principles
                                    <\/b>Shusuke Kasamatsu,\u00a0Tomofumi Tada<\/u>, and Satoshi Watanabe
                                    Appl. Phys. Express\u00a0<\/span><\/em>2<\/b>, 061402 (2009).<\/span><\/li>
                                  • [28] Theoretical study of four-probe resistance in nanoscale measurements: Monatmic carbon chains and (5,5)-carbon nanotubes
                                    <\/b>Asako Terasawa,\u00a0Tomofumi Tada<\/u>, and Satoshi Watanabe
                                    Phys. Rev. B\u00a0<\/span><\/em>79<\/b>, 195436 (2009).<\/span><\/li>
                                  • [27] First principles study on electronic structures of Ni\/H\/ZrO2<\/sub> triple phase boundary
                                    <\/b>Tomofumi Tada<\/u>, Shusuke Kasamatsu, and Satoshi Watanabe
                                    ECS Transactions\u00a0<\/span><\/em>16(51)\u00a0<\/b>, 265 (2009).<\/span><\/li><\/ul>

                                    2008<\/b><\/em><\/h3>
                                    • [26] Hyperfine switching triggered by resonant tunneling for the detection of a single nuclear spin qubit<\/b>
                                      Tomofumi Tada<\/u>
                                      Phys. Lett. A\u00a0<\/span><\/em>372<\/b>, 6690 (2008).<\/span><\/li>
                                    • [25] Excess-silver-induced brigde formation in a silver sulfide atomic switch
                                      <\/b>Zhongchang Wang, Tingkun Gu,\u00a0Tomofumi Tada<\/u>, and Satoshi Watanabe
                                      Appl. Phys. Lett.\u00a0<\/span><\/em>93<\/b>, 152106 (2008).<\/span><\/li>
                                    • [24] Orbital views of the electron transport in molecular devices
                                      <\/b>Kazunari Yoshizawa,\u00a0Tomofumi Tada<\/u>, and Aleksander Staykov
                                      J. Am. Chem. Soc.\u00a0<\/span><\/em>130<\/b>, 9406 (2008).<\/span><\/li>
                                    • [23] Migration of Ag in low-temperature Ag2<\/sub>S from first principles
                                      <\/b>Zhongchang Wang, Tingkun Gu, Takuya Kadohira,\u00a0Tomofumi Tada<\/u>, and Satoshi Watanabe
                                      J. Chem. Phys.\u00a0<\/span><\/em>128<\/b>, 014704 (2008).<\/span><\/li><\/ul>

                                      2007<\/b><\/em><\/h3>
                                      • [22] Nonequilibrium quantum transport properties of a silver atomic switch<\/b>
                                        Zhongchang Wang, Takuya Kadohira,\u00a0Tomofumi Tada<\/u>, and Satoshi Watanabe
                                        Nano Lett.\u00a0<\/span><\/em>7<\/b>, 2688-2692 (2007).<\/span><\/li><\/ul>

                                        2006<\/b><\/em><\/h3>
                                        • [21] Effects of energetic stability in transport measurements of single benzene-dithiolate by the STM break junction technique<\/b>
                                          Satoru Tanibayashi,\u00a0Tomofumi Tada<\/u>, Satoshi Watanabe, and Hideo Sekino
                                          Chem. Phys. Lett.\u00a0<\/span><\/em>428<\/b>, 367-370 (2006).<\/span><\/li>
                                        • [20] Submatrix inversion approach to the ab initio Green’s function method for electrical transport
                                          <\/b>Tomofumi Tada<\/u> and Satoshi Watanabe
                                          e-Jounral of Surface Science and Nanotechnology\u00a0<\/span><\/em>4<\/b>, 484-489 (2006).<\/span><\/li>
                                        • [19] Tight-Binding Analysis of Surface of Electronic Conduction Measured with Micro-Multipoint Scanning tunneling Microscopy Probes
                                          <\/b>Ryoji Suzuki, Masashi Noda,\u00a0Tomofumi Tada<\/u>, and Satoshi Watanabe
                                          Jpn. J. Appl. Phys.\u00a0<\/span><\/em>45<\/b>, 2136-2139 (2006).<\/span><\/li><\/ul>

                                          2005<\/b><\/em><\/h3>
                                          • [18] Computational study on stable structures, formation energies, and conductance of single benzene-dithiolate between two Au electrodes<\/b>
                                            Satoru Tanibayashi,\u00a0Tomofumi Tada<\/u>, Satoshi Watanabe, and Kazunari Yoshizawa
                                            Jpn. J. Appl. Phys.\u00a0<\/span><\/em>44<\/b>, 7729-7731 (2005).<\/span><\/li>
                                          • [17] A theoretical measurement of the quantum transport through an optical molecular switch
                                            <\/b>Masakazu Kondo,\u00a0Tomofumi Tada<\/u> and Kazunari Yoshizawa
                                            Chem. Phys. Lett.\u00a0<\/span><\/em>412<\/b>, 55-59 (2005).<\/span><\/li>
                                          • [16] Quantum transport effects in Copper(II) phthalocyanine sandwiched between gold nanoelectrodes
                                            <\/b>Tomofumi Tada<\/u>, Shinya Hamayama, Masakazu Kondo, and Kazunari Yoshizawa
                                            J. Phys. Chem. B\u00a0<\/span><\/em>109<\/b>, 12443-12448 (2005).<\/span><\/li><\/ul>

                                            2004<\/b><\/em><\/h3>
                                            • [15] Oscillation of Conductance in Molecular Junctions of Carbon Ladder Compounds<\/b>
                                              Tomofumi Tada<\/u>, Daijiro Nozaki, Masakazu Kondo, Shinya Hamayama, and Kazunari Yoshizawa
                                              J. Am. Chem. Soc.\u00a0<\/span><\/em>126<\/b>, 14182-14189 (2004).<\/span><\/li>
                                            • [14] Highly Versatile Organostibine Mediators for Living Radical Polymerization
                                              <\/b>Shigeru Yamago, Biswajit Ray, Kazunori Iida, Jun-ichi Yoshida,\u00a0Tomofumi Tada<\/u>, Kazunari Yoshizawa, Yungwan Kwak, Atsushi Goto, and Takeshi Fukuda
                                              J. Am. Chem. Soc.\u00a0<\/span><\/em>126<\/b>, 13908-13909 (2004).<\/span><\/li>
                                            • [13] Green’s function formalism coupled with Gaussian broadening of discrete states for quantum transport: Application to atomic and molecular wires
                                              <\/b>Tomofumi Tada<\/u>, Masakazu Kondo, and Kazunari Yoshizawa
                                              J. Chem. Phys.\u00a0<\/span><\/em>121<\/b>, 8050-8057 (2004).<\/span><\/li>
                                            • [12] An analytical molecular orbital approach in Tetrathiafulvalene-Tetracyanoquinodimethane (TTF-TCNQ),
                                              <\/b>Tomofumi Tada<\/u>, Yuriko Aoki, and Akira Imamura
                                              Mol. Phys.\u00a0<\/span><\/em>102<\/b>, 1891-1901 (2004).<\/span><\/li>
                                            • [11] Wire-length dependence of the conductance of oligo(p-phenylene) dithiols : A consideration from molecular orbitals
                                              <\/b>Masakazu Kondo,\u00a0Tomofumi Tada<\/u> and Kazunari Yoshizawa
                                              J. Phys. Chem. A\u00a0<\/span><\/em>108<\/b>, 9143-9149 (2004).<\/span><\/li>
                                            • [10] Reverse Exponential Decay of Electrical Transmission in Nanosized Graphite Sheets
                                              <\/b>Tomofumi Tada<\/u> and Kazunari Yoshizawa
                                              J. Phys. Chem. B\u00a0<\/span><\/em>108<\/b>, 7565-7572 (2004).<\/span><\/li><\/ul>

                                              2003<\/b><\/em><\/h3>
                                              • [9] Molecular Orbital Interactions in the Nanostar Dendrimer<\/b>
                                                Tomofumi Tada<\/u>, Daijiro Nozaki, Masakazu Kondo, and Kazunari Yoshizawa
                                                J. Phys. Chem. B\u00a0<\/span><\/em>107<\/b>, 14204-14210 (2003).<\/span><\/li>
                                              • [8] Theoretical Measurements of Conductance in an (AT)12<\/sub> DNA Molecule
                                                <\/b>Tomofumi Tada<\/u>, Masakazu Kondo, and Kazunari Yoshizawa
                                                ChemPhysChem\u00a0<\/span><\/em>4<\/b>, 1256-1260 (2003).<\/span><\/li>
                                              • [7] Quantum Transport Effects in Nanosized Graphite Sheets. II. Enhanced Quantum Transport Effects by Heteroatoms
                                                <\/b>Tomofumi Tada<\/u> and Kazunari Yoshizawa
                                                J. Phys. Chem. B\u00a0<\/span><\/em>107<\/b>, 8789-8793 (2003).<\/span><\/li><\/ul>

                                                2002<\/b><\/em><\/h3>
                                                • [6] Quantum transport effects in nano-sized graphite sheets<\/b>
                                                  Tomofumi Tada<\/u>\u00a0and Kazunari Yoshizawa
                                                  ChemPhysChem\u00a0<\/span><\/em>3<\/b>, 1035-1037 (2002).<\/span><\/li>
                                                • [5] Poly-para-phenylene with the end structure of CH2-(C6H4)n<\/sub>-H provides nearly zero band gaps in the long chains with n > 6
                                                  <\/b>Yuriko Aoki,\u00a0Tomofumi Tada<\/u>, and Yuuichi Orimoto
                                                  Phys. Rev. B\u00a0<\/span><\/em>66<\/b>, 193104 (2002).<\/span><\/li>
                                                • [4] Efficient ab initio molecular-orbital approach to quasi-one-dimensional molecular crystals based on neighboring-interaction-localized molecular orbitals
                                                  <\/b>Tomofumi Tada<\/u> and Yuriko Aoki
                                                  Phys. Rev. B\u00a0<\/span><\/em>65<\/b>, 113113 (2002).<\/span><\/li>
                                                • [3] An analytical molecular orbital approach for modeling of low-dimensional conductors in molecular crystals
                                                  <\/b>Tomofumi Tada<\/u> and Yuriko Aoki
                                                  Int. J. Quantum Chem.\u00a0<\/span><\/em>86<\/b>, 401-415 (2002).<\/span><\/li><\/ul>

                                                  1998<\/b><\/em><\/h3>
                                                  • [2] The contributions of chalcogen to the Peierls instability in model crystals of charge-transfer complexes<\/b>
                                                    Tomofumi Tada<\/u>, Yuriko Aoki, and Akira Imamura
                                                    Synth. Met.\u00a0<\/span><\/em>95<\/b>, 169-177 (1998).<\/span><\/li><\/ul>

                                                    1997<\/b><\/em><\/h3>
                                                    • [1] Molecular orbital approach to the Peierls instability in polyenes and its application to model crystals of charge-transfer complexes<\/b>
                                                      Yuriko Aoki,\u00a0Tomofumi Tada<\/u>, and Akira Imamura
                                                      Int. J. Quantum Chem.\u00a0<\/span><\/em>64<\/b>, 325-336 (1997).<\/span><\/li><\/ul>\t\t\t\t\t\t\t\t<\/div>\n\t\t\t\t<\/div>\n\t\t\t\t\t<\/div>\n\t\t<\/div>\n\t\t\t\t\t<\/div>\n\t\t<\/section>\n\t\t\t\t<\/div>\n\t\t","protected":false},"excerpt":{"rendered":"

                                                      \u5b66\u8853\u8ad6\u6587 2025 [125] Anion […]<\/p>\n","protected":false},"author":1,"featured_media":0,"parent":0,"menu_order":0,"comment_status":"closed","ping_status":"closed","template":"","meta":{"footnotes":""},"class_list":["post-438","page","type-page","status-publish","hentry"],"_links":{"self":[{"href":"https:\/\/qcs.kyushu-u.ac.jp\/wp\/wp-json\/wp\/v2\/pages\/438","targetHints":{"allow":["GET"]}}],"collection":[{"href":"https:\/\/qcs.kyushu-u.ac.jp\/wp\/wp-json\/wp\/v2\/pages"}],"about":[{"href":"https:\/\/qcs.kyushu-u.ac.jp\/wp\/wp-json\/wp\/v2\/types\/page"}],"author":[{"embeddable":true,"href":"https:\/\/qcs.kyushu-u.ac.jp\/wp\/wp-json\/wp\/v2\/users\/1"}],"replies":[{"embeddable":true,"href":"https:\/\/qcs.kyushu-u.ac.jp\/wp\/wp-json\/wp\/v2\/comments?post=438"}],"version-history":[{"count":53,"href":"https:\/\/qcs.kyushu-u.ac.jp\/wp\/wp-json\/wp\/v2\/pages\/438\/revisions"}],"predecessor-version":[{"id":1858,"href":"https:\/\/qcs.kyushu-u.ac.jp\/wp\/wp-json\/wp\/v2\/pages\/438\/revisions\/1858"}],"wp:attachment":[{"href":"https:\/\/qcs.kyushu-u.ac.jp\/wp\/wp-json\/wp\/v2\/media?parent=438"}],"curies":[{"name":"wp","href":"https:\/\/api.w.org\/{rel}","templated":true}]}}