@article{CTT100772848,
  author = {Tomofumi Tada and Junjie Wang and Hideo Hosono},
  title = {First principles evolutionary search for new electrides along the dimensionality of anionic electrons},
  journal = {Journal of Computer Chemistry-Japan},
  year = 2017,
}

@article{CTT100757141,
  author = {Ye Tiannan and Yangfan Lu and jiang li and Takuya Nakao and Hongsheng Yang and Tomofumi Tada and Masaaki Kitano and HIDEO HOSONO},
  title = {Copper-Based Intermetallic Electride Catalyst for Chemoselective Hydrogenation Reactions},
  journal = {J. AM. CHEM. SOC.},
  year = 2017,
}

@article{CTT100757555,
  author = {Junjie Wang and Kota Hanzawa and Hidenori Hiramatsu and Junghwan Kim and Naoto Umezawa and Koki Iwanaka and Tomofumi Tada and Hideo Hosono},
  title = {Exploration of Stable Strontium Phosphide-Based Electrides: Theoretical Structure Prediction and Experimental Validation},
  journal = {Journal of the American Chemical Society},
  year = 2017,
}

@article{CTT100753538,
  author = {Hitoshi Abe and Yasuhiro  Niwa and Masaaki Kitano and yasunori inoue and Masato Sasase and Takuya Nakao and Tomofumi Tada and Toshiharu Yokoyama and MICHIKAZU HARA and HIDEO HOSONO},
  title = {Anchoring Bond between Ru and N Atoms of Ru/Ca2NH Catalyst: Crucial for the High Ammonia Synthesis Activity},
  journal = {The Journal of Physical Chemistry C},
  year = 2017,
}

@article{CTT100772846,
  author = {Shixue Liu and Arief Mohammad and Kazuya Mihara and Takayoshi Ishimoto and Tomofumi Tada and Michihisa Koyama},
  title = {Predictive Microkinetic Model for Solid Oxide Fuel Cell Patterned Anode: Based on an Extensive Literature Survey and Exhaustive Simulations},
  journal = {J. Phys. Chem. C},
  year = 2017,
}

@article{CTT100757579,
  author = {Junjie Wang and Mohammad Khazaei and Masao Arai and Naoto Umezawa and Tomofumi Tada and Hideo Hosono},
  title = {Semimetallic Two-Dimensional TiB12: Improved Stability and Electronic Properties Tunable by Biaxial Strain},
  journal = {Chemistry of Materials},
  year = 2017,
}

@article{CTT100772851,
  author = {S. Liu and L. C. Saha and A. M. Iskandarovb and Z. Jiao and S. Hara and T. Ishimoto and Tomofumi Tada and Y. Umeno and N. Shikazono and S. Matsumura and M. Koyama},
  title = {Multi-Scale, Multi-Physics Approach for Solid Oxide Fuel Cell Anode Reaction},
  journal = {ECS Transactions},
  year = 2017,
}

@article{CTT100772849,
  author = {Albert M. Iskandarov and Tomofumi Tada},
  title = {First-Principles Study of Dopant Effect on Hydrogen Oxidation in Anode of Solid Oxide Fuel Cell},
  journal = {ECS Transactions},
  year = 2017,
}

@article{CTT100772852,
  author = {Tomofumi Tada},
  title = {Full Atomistic Kinetic Monte Carlo and First Principles study on Electromotive Force of SOFC with Direct Counting Approach},
  journal = {ECS Transactions},
  year = 2017,
}

@article{CTT100772845,
  author = {Shunsuke Furukawa and Yuki Suda and Junji Kobayashi and Takayuki Kawashima and Tomofumi Tada and Shintaro Fujii and Manabu Kiguchi and Masaichi Saito},
  title = {Triphosphasumanene Trisulfide: High Out-of-Plane Anisotropy and Janus-Type π-Surfaces},
  journal = {J. Am. Chem. Soc.},
  year = 2017,
}

@article{CTT100742660,
  author = {Takeshi Inoshita and Seiji Takemoto and Tomofumi Tada and Hideo Hosono},
  title = {Surface electron states on the quasi-two-dimensional excess-electron compounds Ca₂N and Y₂C},
  journal = {Physical Review B},
  year = 2017,
}

@article{CTT100772844,
  author = {Tsukasa Futagoishi and Tomoko Aharen and Tatsuhisa Kato and Azusa Kato and Toshiyuki Ihara and Tomofumi Tada and Michihisa Murata and Atsushi Wakamiya and Hiroshi Kageyama and Yoshihiko Kanemitsu and Yasujiro Murata},
  title = {A Stable, Soluble, and Crystalline Supramolecular System with a Triplet Ground State},
  journal = {Angew. Chem.},
  year = 2017,
}

@article{CTT100737215,
  author = {Yangfan Lu and Tomofumi Tada and Yoshitake Toda and Shigenori Ueda and Jiazhen Wu and Jiang Li and Koji Horiba and Hiroshi Kumigashira and Yaoqing Zhang and Hideo Hosono},
  title = {Interlayer states arising from anionic electrons in the honeycomb-lattice-based compounds AeAlSi (Ae = Ca, Sr, Ba)},
  journal = {Phys. Rev. B},
  year = 2017,
}

@inproceedings{CTT100772858,
  author = {多田朋史 and 竹本整司 and 細野秀雄},
  title = {第一原理計算と並列化動的モンテカルロ計算によるCaH2のヒドリド伝導ダイナミクス},
  booktitle = {},
  year = 2017,
}

@inproceedings{CTT100772859,
  author = {多田朋史},
  title = {第一原理計算と並列化動的モンテカルロ計算による原子スケールからの大規模長時間ダイナミクスに基づく固体イオニクス現象の理解に向けて},
  booktitle = {},
  year = 2017,
}

@inproceedings{CTT100785786,
  author = {田中裕也 and 加藤佑弥 and 藤井慎太郎 and 多田朋史 and 木口学 and 穐田宗隆},
  title = {末端に金アセチリドを修飾した有機金属ポリイン分子ワイヤーの単分子電気伝導度測定},
  booktitle = {},
  year = 2017,
}

@inproceedings{CTT100772860,
  author = {多田朋史 and ワンジュンジエ and 細野秀雄},
  title = {遺伝的アルゴリズムと第一原理計算を用いた新規エレクトライド材料探索},
  booktitle = {},
  year = 2017,
}

@inproceedings{CTT100772861,
  author = {アルベルト・イスカンダロフ and 多田朋史},
  title = {SOFCアノード三相界面電極反応におけるドーパント依存性に関する第一原理計算},
  booktitle = {},
  year = 2017,
}

@inproceedings{CTT100752797,
  author = {中尾琢哉 and 多田朋史 and 北野政明 and 細野秀雄},
  title = {第一原理計算を用いた Ru/[Ca2N]+H−触媒による アンモニア合成の反応経路解析},
  booktitle = {},
  year = 2017,
}

@inproceedings{CTT100753232,
  author = {Takuya Nakao and Tomofumi Tada and HIDEO HOSONO},
  title = {First-principles study on Ru-based intermetallic alloy loaded on hydrides for efficient ammonia synthesis},
  booktitle = {},
  year = 2017,
}

@inproceedings{CTT100785784,
  author = {加藤佑弥 and 田中裕也 and 藤井慎太郎 and 多田朋史 and 木口学 and 穐田宗隆},
  title = {末端に金アセチリドを修飾した有機金属分子ワイヤーの単分子電気伝導度測定},
  booktitle = {},
  year = 2017,
}

@inproceedings{CTT100814079,
  author = {Tomofumi Tada and Takuya Nakao and Hideo Hosono},
  title = {First-Principles Study on Essential role of Metal Hydrides for Ammonia Synthesis},
  booktitle = {},
  year = 2017,
}

@inproceedings{CTT100749183,
  author = {Takuya Nakao and Tomofumi Tada and Masaaki Kitano and Masato Sasase and Hideo Hosono},
  title = {First-Principles and Experimental Study on the Descriptors for Controlling Metal Particle Sizes on Supports},
  booktitle = {},
  year = 2017,
}

@inproceedings{CTT100751406,
  author = {Takuya Nakao and Tomofumi Tada and Masaaki Kitano and Masato Sasase and HIDEO HOSONO},
  title = {Guideline for the control of Ru particles sizes on supports based on the chemical bond between metal and support's anion},
  booktitle = {},
  year = 2017,
}

@inproceedings{CTT100751728,
  author = {Masaaki Kitano and yasunori inoue and Takuya Nakao and Tomofumi Tada and MICHIKAZU HARA and HIDEO HOSONO},
  title = {Ammonia synthesis over Ru-loaded Ca2NH: Effect of H- ion on the catalytic performance},
  booktitle = {},
  year = 2017,
}

@inproceedings{CTT100772854,
  author = {Albert Iskandarov and Tomofumi Tada},
  title = {First-Principles Study of Dopant Effect on Hydrogen Oxidation in Anode of Solid Oxide Fuel Cell},
  booktitle = {},
  year = 2017,
}

@inproceedings{CTT100772857,
  author = {Tomofumi Tada and Albert Iskandarov and J. Wang and S. Takemoto},
  title = {First-principles and multi-scale simulations for chemical reactions on surfaces and interfaces},
  booktitle = {},
  year = 2017,
}

@inproceedings{CTT100772862,
  author = {多田朋史},
  title = {単一スピン制御のための単分子コンタクトの理論的研究},
  booktitle = {},
  year = 2017,
}