publication_type publication_year number author title journal_title volume_number issue_number start_page end_page doi reported_at Paper 2024 1 Yuta Shuseki, Shinji Kohara, Tomoaki Kaneko, Keitaro Sodeyama, Yohei Onodera, Chihiro Koyama, Atsunobu Masuno, Shunta Sasaki, Shohei Hatano, Motoki Shiga, Ippei Obayashi, Yasuaki Hiraoka, Junpei T. Okada, Akitoshi Mizuno, Yuki Watanabe, Yui Nakata, Koji Ohara, Motohiko Murakami, Matthew G. Tucker, Marshall T. McDonnell, Hirohisa Oda, Takehiko Ishikawa The Journal of Physical Chemistry A 128 4 716 726 https://doi.org/10.1021/acs.jpca.3c05561 2024-04-26 12:04:40 +0900 Paper 2023 1 Sae Dieb, Yoshiaki Toda, Keitaro Sodeyama, Masahiko Demura Science and Technology of Advanced Materials: Methods 3 1 https://doi.org/10.1080/27660400.2023.2278321 2024-04-26 12:04:40 +0900 Paper 2023 2 Yasuyuki Nakamura, Alice Gros, Wenhao Zhang, Keitaro Sodeyama, Masanobu Naito Polymer Chemistry 14 33 3881 3887 https://doi.org/10.1039/d3py00565h 2024-04-26 12:04:40 +0900 Paper 2023 3 Toshihiko Mandai, Masaru Yao, Keitaro Sodeyama, Akiko Kagatsume, Yoshitaka Tateyama, Hiroaki Imai The Journal of Physical Chemistry C 127 22 10419 10433 https://doi.org/10.1021/acs.jpcc.3c01452 2024-04-26 12:04:40 +0900 Paper 2023 4 Tomoaki Kaneko, Yui Fujihara, Hiroaki Kobayashi, Keitaro Sodeyama Applied Surface Science 613 156065 https://doi.org/10.1016/j.apsusc.2022.156065 2024-04-26 12:04:40 +0900 Paper 2022 1 Koki Obinata, Tomofumi Nakayama, Atsushi Ishikawa, Keitaro Sodeyama, Kenji Nagata, Yasuhiko Igarashi, Masato Okada Science and Technology of Advanced Materials: Methods 2 1 355 364 https://doi.org/10.1080/27660400.2022.2108353 2024-04-26 12:04:40 +0900 Paper 2022 2 Shoichi Matsuda, Guillaume Lambard, Keitaro Sodeyama Data-driven automated robotic experiments accelerate discovery of multi-component electrolyte for rechargeable Li–O2 batteries Cell Reports Physical Science 3 4 100832 https://doi.org/10.1016/j.xcrp.2022.100832 2024-04-26 12:04:40 +0900 Paper 2022 3 G. Lambard, T.T. Sasaki, K. Sodeyama, T. Ohkubo, K. Hono Optimization of direct extrusion process for Nd-Fe-B magnets using active learning assisted by machine learning and Bayesian optimization Scripta Materialia 209 114341 https://doi.org/10.1016/j.scriptamat.2021.114341 2024-04-26 12:04:40 +0900 Paper 2022 4 Towhid H. Chowdhury, Ryuji Kaneko, Tomoaki Kaneko, Keitaro Sodeyama, Jae-Joon Lee, Ashraful Islam Chemical Engineering Journal 431 133745 https://doi.org/10.1016/j.cej.2021.133745 2024-04-26 12:04:40 +0900 Paper 2021 1 Ekaterina Gracheva, Guillaume Lambard, Sadaki Samitsu, Keitaro Sodeyama, Ayako Nakata Prediction of the coefficient of linear thermal expansion for the amorphous homopolymers based on chemical structure using machine learning Science and Technology of Advanced Materials: Methods 1 1 213 224 https://doi.org/10.1080/27660400.2021.1993729 2024-04-26 12:04:40 +0900 Paper 2020 1 Feilure Tuerxun, Kentaro Yamamoto, Masashi Hattori, Toshihiko Mandai, Koji Nakanishi, Ashu Choudhary, Yoshitaka Tateyama, Keitaro Sodeyama, Aiko Nakao, Tomoki Uchiyama, Masaki Matsui, Kazuki Tsuruta, Yusuke Tamenori, Kiyoshi Kanamura, Yoshiharu Uchimoto Determining Factor on the Polarization Behavior of Magnesium Deposition for Magnesium Battery Anode ACS Applied Materials & Interfaces 12 23 25775 25785 https://doi.org/10.1021/acsami.0c03696 2024-04-26 12:04:40 +0900 Paper 2020 2 Takeshi Baba, Keitaro Sodeyama, Yoshiumi Kawamura, Yoshitaka Tateyama Li-ion transport at the interface between a graphite anode and Li2CO3 solid electrolyte interphase: ab initio molecular dynamics study Physical Chemistry Chemical Physics 22 19 10764 10774 https://doi.org/10.1039/c9cp06608j 2024-04-26 12:04:40 +0900 Paper 2019 1 Sirawit Pruksawan, Guillaume Lambard, Sadaki Samitsu, Keitaro Sodeyama, Masanobu Naito Prediction and optimization of epoxy adhesive strength from a small dataset through active learning Science and Technology of Advanced Materials 20 1 1010 1021 https://doi.org/10.1080/14686996.2019.1673670 2024-04-26 12:04:40 +0900 Paper 2019 2 Atsushi Ishikawa, Keitaro Sodeyama, Yasuhiko Igarashi, Tomofumi Nakayama, Yoshitaka Tateyama, Masato Okada Machine learning prediction of coordination energies for alkali group elements in battery electrolyte solvents Physical Chemistry Chemical Physics 21 48 26399 26405 https://doi.org/10.1039/c9cp03679b 2024-04-26 12:04:40 +0900 Paper 2019 3 Yukihiro Okuno, Keisuke Ushirogata, Keitaro Sodeyama, Ganes Shukri, Yoshitaka Tateyama Structures, Electronic States, and Reactions at Interfaces between LiNi0.5Mn1.5O4 Cathode and Ethylene Carbonate Electrolyte: A First-Principles Study The Journal of Physical Chemistry C 123 4 2267 2277 https://doi.org/10.1021/acs.jpcc.8b10625 2024-04-26 12:04:40 +0900 Paper 2018 1 Masashi Hattori, Kentaro Yamamoto, Masaki Matsui, Koji Nakanishi, Toshihiko Mandai, Ashu Choudhary, Yoshitaka Tateyama, Keitaro Sodeyama, Tomoki Uchiyama, Yuki Orikasa, Yusuke Tamenori, Tatsuya Takeguchi, Kiyoshi Kanamura, Yoshiharu Uchimoto Role of Coordination Structure of Magnesium Ions on Charge and Discharge Behavior of Magnesium Alloy Electrode The Journal of Physical Chemistry C 122 44 25204 25210 https://doi.org/10.1021/acs.jpcc.8b08558 2024-04-26 12:04:40 +0900 Paper 2018 2 Jianhui Wang, Yuki Yamada, Keitaro Sodeyama, Eriko Watanabe, Koji Takada, Yoshitaka Tateyama, Atsuo Yamada Fire-extinguishing organic electrolytes for safe batteries Nature Energy 3 1 22 29 https://doi.org/10.1038/s41560-017-0033-8 2024-04-26 12:04:40 +0900 Paper 2017 1 Jun Haruyama, Keitaro Sodeyama, Ikutaro Hamada, Liyuan Han, Yoshitaka Tateyama First-Principles Study of Electron Injection and Defects at the TiO2/CH3NH3PbI3 Interface of Perovskite Solar Cells The Journal of Physical Chemistry Letters 8 23 5840 5847 https://doi.org/10.1021/acs.jpclett.7b02622 2024-04-26 12:04:40 +0900 Paper 2017 2 館山 佳尚, 袖山 慶太郎, 後瀉敬介, 奥野幸洋 2次電池の固液界面・電解液反応の第一原理サンプリング解析 固体物理 52 11 605 615 2024-04-26 12:04:40 +0900 Paper 2017 3 Koji Takada, Yuki Yamada, Eriko Watanabe, Jianhui Wang, Keitaro Sodeyama, Yoshitaka Tateyama, Kazuhisa Hirata, Takeo Kawase, Atsuo Yamada Unusual Passivation Ability of Superconcentrated Electrolytes toward Hard Carbon Negative Electrodes in Sodium-Ion Batteries ACS Applied Materials & Interfaces 9 39 33802 33809 https://doi.org/10.1021/acsami.7b08414 2024-04-26 12:04:40 +0900 Paper 2017 4 Satoshi Kajiyama, Lucie Szabova, Hiroki Iinuma, Akira Sugahara, Kazuma Gotoh, Keitaro Sodeyama, Yoshitaka Tateyama, Masashi Okubo, Atsuo Yamada Enhanced Li-Ion Accessibility in MXene Titanium Carbide by Steric Chloride Termination Advanced Energy Materials 7 9 1601873 https://doi.org/10.1002/aenm.201601873 2024-04-26 12:04:40 +0900 Paper 2017 5 Martin Callsen, Keitaro Sodeyama, Zdeněk Futera, Yoshitaka Tateyama, Ikutaro Hamada The Solvation Structure of Lithium Ions in an Ether Based Electrolyte Solution from First-Principles Molecular Dynamics The Journal of Physical Chemistry B 121 1 180 188 https://doi.org/10.1021/acs.jpcb.6b09203 2024-04-26 12:04:40 +0900 Paper 2017 6 Jun Haruyama, Keitaro Sodeyama, Yoshitaka Tateyama Cation Mixing Properties toward Co Diffusion at the LiCoO2 Cathode/Sulfide Electrolyte Interface in a Solid-State Battery ACS Applied Materials & Interfaces 9 1 286 292 https://doi.org/10.1021/acsami.6b08435 2024-04-26 12:04:40 +0900 Paper 2016 1 Jianhui Wang, Yuki Yamada, Keitaro Sodeyama, Ching Hua Chiang, Yoshitaka Tateyama, Atsuo Yamada Superconcentrated electrolytes for a high-voltage lithium-ion battery Nature Communications 7 1 https://doi.org/10.1038/ncomms12032 2024-04-26 12:04:40 +0900 Paper 2016 2 Yuki Yamada, Kenji Usui, Keitaro Sodeyama, Seongjae Ko, Yoshitaka Tateyama, Atsuo Yamada Hydrate-melt electrolytes for high-energy-density aqueous batteries Nature Energy 1 10 https://doi.org/10.1038/nenergy.2016.129 2024-04-26 12:04:40 +0900 Paper 2016 3 Yusuke Ootani, Keitaro Sodeyama, Liyuan Han, Yoshitaka Tateyama First-principles study on the cosensitization effects of Ru and squaraine dyes on a TiO2 surface Surface Science 649 66 71 https://doi.org/10.1016/j.susc.2016.01.025 2024-04-26 12:04:40 +0900 Paper 2016 4 Satoshi Kajiyama, Lucie Szabova, Keitaro Sodeyama, Hiroki Iinuma, Ryohei Morita, Kazuma Gotoh, Yoshitaka Tateyama, Masashi Okubo, Atsuo Yamada Sodium-Ion Intercalation Mechanism in MXene Nanosheets ACS Nano 10 3 3334 3341 https://doi.org/10.1021/acsnano.5b06958 2024-04-26 12:04:40 +0900 Paper 2016 5 Jun Haruyama, Keitaro Sodeyama, Liyuan Han, Yoshitaka Tateyama Surface Properties of CH3NH3PbI3 for Perovskite Solar Cells Accounts of Chemical Research 49 3 554 561 https://doi.org/10.1021/acs.accounts.5b00452 2024-04-26 12:04:40 +0900 Paper 2016 6 Yukihiro Okuno, Keisuke Ushirogata, Keitaro Sodeyama, Yoshitaka Tateyama Decomposition of the fluoroethylene carbonate additive and the glue effect of lithium fluoride products for the solid electrolyte interphase: an ab initio study Physical Chemistry Chemical Physics 18 12 8643 8653 https://doi.org/10.1039/c5cp07583a 2024-04-26 12:04:40 +0900 Paper 2016 7 J. Scheers, D. Lidberg, K. Sodeyama, Z. Futera, Y. Tateyama Life of superoxide in aprotic Li–O2 battery electrolytes: simulated solvent and counter-ion effects Physical Chemistry Chemical Physics 18 15 9961 9968 https://doi.org/10.1039/c5cp08056h 2024-04-26 12:04:40 +0900 Paper 2015 1 Yuki Yamada, Ching Hua Chiang, Keitaro Sodeyama, Jianhui Wang, Yoshitaka Tateyama, Atsuo Yamada Corrosion Prevention Mechanism of Aluminum Metal in Superconcentrated Electrolytes ChemElectroChem 2 11 1687 1694 https://doi.org/10.1002/celc.201500235 2024-04-26 12:04:40 +0900 Paper 2015 2 Keisuke Ushirogata, Keitaro Sodeyama, Zdenek Futera, Yoshitaka Tateyama, Yukihiro Okuno Near-Shore Aggregation Mechanism of Electrolyte Decomposition Products to Explain Solid Electrolyte Interphase Formation Journal of The Electrochemical Society 162 14 A2670 A2678 https://doi.org/10.1149/2.0301514jes 2024-04-26 12:04:40 +0900 Paper 2015 3 Jun Haruyama, Keitaro Sodeyama, Liyuan Han, Yoshitaka Tateyama First-Principles Study of Ion Diffusion in Perovskite Solar Cell Sensitizers Journal of the American Chemical Society 137 32 10048 10051 https://doi.org/10.1021/jacs.5b03615 2024-04-26 12:04:40 +0900 Paper 2015 4 Yusuke Ootani, Keitaro Sodeyama, Liyuan Han, Yoshitaka Tateyama Possibility of NCS Group Anchor for Ru Dye Adsorption to Anatase TiO2(101) Surface: A Density Functional Theory Investigatioin The Journal of Physical Chemistry C 119 1 234 241 https://doi.org/10.1021/jp5075434 2024-04-26 12:04:40 +0900 Paper 2014 1 Jun Haruyama, Keitaro Sodeyama, Liyuan Han, Yoshitaka Tateyama Termination Dependence of Tetragonal CH3NH3PbI3 Surfaces for Perovskite Solar Cells The Journal of Physical Chemistry Letters 5 16 2903 2909 https://doi.org/10.1021/jz501510v 2024-04-26 12:04:40 +0900 Paper 2014 2 Zdenek Futera, Keitaro Sodeyama, Jaroslav V. Burda, Yasuaki Einaga, Yoshitaka Tateyama A double-QM/MM method for investigating donor–acceptor electron-transfer reactions in solution Phys. Chem. Chem. Phys. 16 36 19530 19539 https://doi.org/10.1039/c4cp02307b 2024-04-26 12:04:40 +0900 Paper 2014 3 Jun Haruyama, Keitaro Sodeyama, Liyuan Han, Kazunori Takada, Yoshitaka Tateyama Space–Charge Layer Effect at Interface between Oxide Cathode and Sulfide Electrolyte in All-Solid-State Lithium-Ion Battery Chemistry of Materials 26 14 4248 4255 https://doi.org/10.1021/cm5016959 2024-04-26 12:04:40 +0900 Paper 2014 4 Keitaro Sodeyama, Yuki Yamada, Koharu Aikawa, Atsuo Yamada, Yoshitaka Tateyama Sacrificial anion reduction mechanism for electrochemical stability improvement in highly concentrated Li-salt electrolyte The Journal of Physical Chemistry C 118 26 14091 14097 https://doi.org/10.1021/jp501178n 2024-04-26 12:04:40 +0900 Paper 2014 5 Wim Van Rossom, Tatyana G. Terentyeva, Keitaro Sodeyama, Yoshitaka Matsushita, Yoshitaka Tateyama, Katsuhiko Ariga, Jonathan P. Hill Arylpyrrole oligomers as tunable anion receptors Org. Biomol. Chem. 12 29 5492 5499 https://doi.org/10.1039/c4ob00357h 2024-04-26 12:04:40 +0900 Paper 2014 6 Yuki Yamada, Keizo Furukawa, Keitaro Sodeyama, Keisuke Kikuchi, Makoto Yaegashi, Yoshitaka Tateyama, Atsuo Yamada Unusual Stability of Acetonitrile-Based Superconcentrated Electrolytes for Fast-Charging Lithium-Ion Batteries Journal of the American Chemical Society 136 13 5039 5046 https://doi.org/10.1021/ja412807w 2024-04-26 12:04:40 +0900 Paper 2014 7 Masayuki Ochi, Keitaro Sodeyama, Shinji Tsuneyuki Optimization of the Jastrow factor using the random-phase approximation and a similarity-transformed Hamiltonian: Application to band-structure calculation for some semiconductors and insulators The Journal of Chemical Physics 140 7 074112 https://doi.org/10.1063/1.4865500 2024-04-26 12:04:40 +0900 Paper 2013 1 Tomoki Kobori, Keitaro Sodeyama, Takao Otsuka, Yoshitaka Tateyama, Shinji Tsuneyuki Trimer effects in fragment molecular orbital-linear combination of molecular orbitals calculation of one-electron orbitals for biomolecules The Journal of Chemical Physics 139 9 094113 https://doi.org/10.1063/1.4818599 2024-04-26 12:04:40 +0900 Paper 2013 2 Keisuke Ushirogata, Keitaro Sodeyama, Yukihiro Okuno, Yoshitaka Tateyama Additive Effect on Reductive Decomposition and Binding of Carbonate-Based Solvent toward Solid Electrolyte Interphase Formation in Lithium-Ion Battery Journal of the American Chemical Society 135 32 11967 11974 https://doi.org/10.1021/ja405079s 2024-04-26 12:04:40 +0900 Paper 2013 3 Chuanjiang Qin, Youhei Numata, Shufang Zhang, Ashraful Islam, Xudong Yang, Keitaro Sodeyama, Yoshitaka Tateyama, Liyuan Han A Near-Infraredcis-Configured Squaraine Co-Sensitizer for High-Efficiency Dye-Sensitized Solar Cells Advanced Functional Materials 23 30 3782 3789 https://doi.org/10.1002/adfm.201203384 2024-04-26 12:04:40 +0900 Paper 2013 4 Youhei Numata, Ashraful Islam, Keitaro Sodeyama, Zhen-Hua Chen, Yoshitaka Tateyama, Liyuan Han 色素増感太陽電池におけるキャリア輸送特性に及ぼすRu-ピリジル錯体の効果 Journal of Materials Chemistry A 1 36 11033 https://doi.org/10.1039/c3ta12152f 2024-04-26 12:04:40 +0900 Paper 2013 5 Masato Sumita, Keitaro Sodeyama, Ryota Jono, Liyuan Han, Yoshitaka Tateyama Electronic structure of acetonitrile adsorbed on the anatase TiO2 (101) surface Chemical Physics Letters 556 225 229 https://doi.org/10.1016/j.cplett.2012.11.060 2024-04-26 12:04:40 +0900 Paper 2012 1 Kun Zhang, Shufang Zhang, Keitaro Sodeyama, Xudong Yang, Han Chen, Masatoshi Yanagida, Yoshitaka Tateyama, Liyuan Han A New Factor Affecting the Performance of Dye-Sensitized Solar Cells in the Presence of 4-tert-Butylpyridine Applied Physics Express 5 4 042303 https://doi.org/10.1143/apex.5.042303 2024-04-26 12:04:40 +0900 Paper 2012 2 Keitaro Sodeyama, Masato Sumita, Conn O’Rourke, Umberto Terranova, Ashraful Islam, Liyuan Han, David R. Bowler, Yoshitaka Tateyama N749ルテニウム色素(ブラックダイ)の二酸化チタンアナターゼ(101)表面における吸着:プロト ンを有するカルボキシル基による安定吸着構造 The Journal of Physical Chemistry Letters 3 4 472 477 https://doi.org/10.1021/jz201583n 2024-04-26 12:04:40 +0900 Paper 2011 1 Masato Sumita, Keitaro Sodeyama, Liyuan Han, Yoshitaka Tateyama Water Contamination Effect on Liquid Acetonitrile/TiO2 Anatase (101) Interface for Durable Dye-Sensitized Solar Cell The Journal of Physical Chemistry C 115 40 19849 19855 https://doi.org/10.1021/jp206910f 2024-04-26 12:04:40 +0900