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論文 TSV

2021
  1. Shogo Wakazaki, Qiumin Liu, Randy Jalem, Takumi Nishikubo, Yuki Sakai, Naoki Matsui, Guowei Zhao, Kota Suzuki, Kei Shigematsu, Takafumi Yamamoto, Ryoji Kanno, Hena Das, Yoshitaka Tateyama, Masaki Azuma. High-Pressure Synthesis and Lithium-Ion Conduction of Li4OBr2 Derivatives with a Layered Inverse-Perovskite Structure. Chemistry of Materials. 33 [23] (2021) 9194-9201 10.1021/acs.chemmater.1c02713
  2. Randy Jalem, Yoshitaka Tateyama, Kazunori Takada, Masanobu Nakayama. First-Principles DFT Study on Inverse Ruddlesden–Popper Tetragonal Compounds as Solid Electrolytes for All-Solid-State Li+-Ion Batteries. Chemistry of Materials. 33 [15] (2021) 5859-5871 10.1021/acs.chemmater.1c00124
  3. Hong-Kang Tian, Randy Jalem, Masaki Matsui, Toshihiko Mandai, Hidetoshi Somekawa, Yoshitaka Tateyama. Tuning the performance of a Mg negative electrode through grain boundaries and alloying toward the realization of Mg batteries. Journal of Materials Chemistry A. 9 [27] (2021) 15207-15216 10.1039/d1ta02419a
  4. F. A. Vásquez, N. C. Rosero-Navarro, A. Miura, R. Jalem, Y. Goto, M. Nagao, Y. Tateyama, K. Tadanaga, J. A. Calderón. Kinetic Control of the Li0.9Mn1.6Ni0.4O4 Spinel Structure with Enhanced Electrochemical Performance. ACS Applied Materials & Interfaces. 13 [12] (2021) 14056-14067 10.1021/acsami.0c17886
  5. Bo Gao, Randy Jalem, Yoshitaka Tateyama. First-Principles Study of Microscopic Electrochemistry at the LiCoO2 Cathode/LiNbO3 Coating/β-Li3PS4 Solid Electrolyte Interfaces in an All-Solid-State Battery. ACS Applied Materials & Interfaces. 13 [10] (2021) 11765-11773 10.1021/acsami.0c19091
  6. Marcela Calpa, Nataly Carolina Rosero-Navarro, Akira Miura, Randy Jalem, Yoshitaka Tateyama, Kiyoharu Tadanaga. Chemical stability of Li4PS4I solid electrolyte against hydrolysis. Applied Materials Today. 22 (2021) 100918 10.1016/j.apmt.2020.100918
2020
  1. Hong-Kang Tian, Randy Jalem, Bo Gao, Yuta Yamamoto, Shunsuke Muto, Miyuki Sakakura, Yasutoshi Iriyama, Yoshitaka Tateyama. Electron and Ion Transfer across Interfaces of the NASICON-Type LATP Solid Electrolyte with Electrodes in All-Solid-State Batteries: A Density Functional Theory Study via an Explicit Interface Model. ACS Applied Materials & Interfaces. 12 [49] (2020) 54752-54762 10.1021/acsami.0c16463
  2. Randy Jalem, Akitoshi Hayashi, Fumika Tsuji, Atsushi Sakuda, Yoshitaka Tateyama. First-Principles Calculation Study of Na+ Superionic Conduction Mechanism in W- and Mo-Doped Na3SbS4 Solid Electrolytes. Chemistry of Materials. 32 [19] (2020) 8373-8381 10.1021/acs.chemmater.0c02318
  3. Nataly Carolina Rosero-Navarro, Ryunosuke Kajiura, Randy Jalem, Yoshitaka Tateyama, Akira Miura, Kiyoharu Tadanaga. Significant Reduction in the Interfacial Resistance of Garnet-Type Solid Electrolyte and Lithium Metal by a Thick Amorphous Lithium Silicate Layer. ACS Applied Energy Materials. 3 [6] (2020) 5533-5541 10.1021/acsaem.0c00511
  4. Bo Gao, Randy Jalem, Yoshitaka Tateyama. Surface-Dependent Stability of the Interface between Garnet Li7La3Zr2O12 and the Li Metal in the All-Solid-State Battery from First-Principles Calculations. ACS Applied Materials & Interfaces. 12 [14] (2020) 16350-16358 10.1021/acsami.9b23019
  5. Bo Gao, Randy Jalem, Yanming Ma, Yoshitaka Tateyama. Li+ Transport Mechanism at the Heterogeneous Cathode/Solid Electrolyte Interface in an All-Solid-State Battery via the First-Principles Structure Prediction Scheme. Chemistry of Materials. 32 [1] (2020) 85-96 10.1021/acs.chemmater.9b02311
2015
  1. Randy Jalem, Masanobu Nakayama, William Manalastas, John A. Kilner, Robin W. Grimes, Toshihiro Kasuga, Kiyoshi Kanamura. Insights into the Lithium-Ion Conduction Mechanism of Garnet-Type Cubic Li5La3Ta2O12 by ab-Initio Calculations. The Journal of Physical Chemistry C. 119 [36] (2015) 20783-20791 10.1021/acs.jpcc.5b05068
  2. Randy Jalem, Mayumi Kimura, Masanobu Nakayama, Toshihiro Kasuga. Informatics-Aided Density Functional Theory Study on the Li Ion Transport of Tavorite-Type LiMTO4F (M3+–T5+, M2+–T6+). Journal of Chemical Information and Modeling. 55 [6] (2015) 1158-1168 10.1021/ci500752n

会議録 TSV

口頭発表 TSV

2021
  1. JALEM Randy, TATEYAMA Yoshitaka, TAKADA Kazunori, NAKAYAMA Masanobu. Exploration of Li-Rich Inorganic Compounds with Inverse Ruddlesden-Popper-Type Structure by First-Principles DFT Calculations for Solid Electrolyte Application in All-Solid-State Batteries. 2021 MRS Fall Meeting and Exhibit. 2021
  2. JALEM Randy, TATEYAMA Yoshitaka, TAKADA Kazunori, NAKAYAMA Masanobu. First-Principles DFT-based Computational Design of Novel Solid Electrolytes with Inverse Ruddlesden-Popper Tetragonal Structure for All-Solid-State Batteries. 第62回電池討論会. 2021
  3. JALEM Randy. My Education, Works and Life Experiences in Japan as a Computational Researcher. 日本化学会秋季事業 第11回CSJ化学フェスタ2021 (11th CSJ Chemistry Festa). 2021
  4. JALEM Randy, TATEYAMA Yoshitaka, TAKADA Kazunori, NAKAYAMA Masanobu. DFT-Based Computational Design Of Inverse Ruddlesden-Popper-Type Solid Electrolytes For All-Solid-State Lithium Ion Battery Application. International Union of Materials Research Societies – International Conference in Asia 2021 (IUMRS-ICA 2021). 2021
  5. JALEM Randy, TATEYAMA Yoshitaka. First-principles DFT study on the Na+ Superionic Conductivity in Cation-Doped Na3SbS4 Solid Electrolytes for All-Solid-State Batteries. 72nd Annual Meeting of the International Society of Electrochemistry. 2021
  6. JALEM Randy. Understanding the electrochemical stability and ion transport property of ceramic electrolytes in all-solid-state batteries from atomic-scale modeling. 8th Ceramic Engineering Week, Mindanao State University - Iligan Institute of Technology, Philippines / https://msuiit.edu.ph/events/details.php?id=417&fbclid=IwAR22QwRwiXCFY-Y6qcr8XJ4MCZXrvVmDU8oswS5axbR4iUzd8ZSbWX_iUVE. 2021
  7. JALEM Randy, TATEYAMA Yoshitaka, TAKADA Kazunori, NAKAYAMA Masanobu. Computational Design of Novel Solid Electrolytes with Inverse Ruddlesden-Popper Structures. CECAM Flagship Workshop: Materials Design for Energy Storage and Conversion: Theory and Experiment. 2021
  8. JALEM Randy. Computational design and exploration of novel solid electrolytes for all-solid state batteries by DFT and machine learning. e-ASIA Joint Research Program Online Workshop on “Materials Informatics”. 2021
2019
  1. JALEM Randy, TATEYAMA Yoshitaka, TAKEUCHI Ichiro, NAKAYAMA Masanobu. Computational screening of novel solid electrolyte candidates for all-solid-state battery by high-throughput DFT and data science techniques. Materials Research Meeting 2019. 2019
  2. GAO, Bo, JALEM, Randy, Yanming Ma, TATEYAMA, Yoshitaka. Microscope mechanism of Li-ion transport at Interfaces between LiCoO2 Cathode and Sulfide Electrolyte in All-Solid-State Battery via DFT-CALYPSO Method. Materials Research Meeting 2019. 2019
  3. JALEM, Randy. DFT and informatics approaches for finding novel solid electrolytes for all-solid-state batteries. 29th Annual Meeting of MRS-J. 2019
  4. GAO, Bo, JALEM, Randy, Yanming Ma, TATEYAMA, Yoshitaka. Structure Search and Property Analysis of Interfaces between Cathode and Solid Electrolyte in All-Solid-State Battery via DFT-CALYPSO Method. The 10th Asian Conference on Electrochemical Power Sources 2019 (ACEPS-10). 2019
  5. JALEM, Randy, TATEYAMA, Yoshitaka. Insights on the electrode-contact stability and ion conduction mechanism in Na3SbS4 solid electrolyte by DFT-based calculations. The 10th Asian conference on Electrochemical Power Source 2019(ACEPS10) https://aceps10.org/index.php. 2019
  6. TATEYAMA, Yoshitaka, JALEM, Randy, DFT-based study on the electrode-contact stability and ion transport of Na3SbS4 solid electrolyte for all-solid-state batteries. The 60th Battery Symposium in Japan. 2019
  7. GAO, Bo, JALEM, Randy, Yanming Ma, TATEYAMA, Yoshitaka. Structure Search and Property Analysis of Interfaces between Cathode and Solid Electrolyte in All-Solid-State Battery via DFT-CALYPSO Method. The 22nd Asian Workshop on First-Principles Electronic Structure Calculations (ASIAN-22). 2019
  8. TATEYAMA, Yoshitaka, JALEM, Randy, First-Principles Study on Na+ Ion Transport in Na3SbS4 Solid Electrolyte for All-Solid-State Na Ion Battery. The 2nd World Conference on Solid Electrolytes for Advanced Applications: Garnets and Competitors. 2019
  9. GAO, Bo, JALEM, Randy, TATEYAMA, Yoshitaka. Atomic-scale insight into surface morphology and stability of interface between garnet Li7La3Zr2O12 and Li metal from first principles. 2nd World Conference on Solid Electrolytes for Advanced Applications: Garnets and Competitors (Garnet2019). 2019
  10. JALEM, Randy. Exploring Material Spaces Using High-Throughput DFT Calculations and Bayesian Optimization for Discovery of All-Solid-State Battery Materials. The 11th International Conference on the Science and Technology for Advanced Ceramics(STAC-11). 2019
  11. GAO, Bo, JALEM, Randy, Yanming Ma, TATEYAMA, Yoshitaka. Structure Search and Property Analysis of Interfaces between Cathode and Solid Electrolyte in All-Solid-State Battery via DFT-CALYPSO Method. The 11th International Conference on the Science and Technology for Advanced Ceramics (STAC-11). 2019
  12. JALEM, Randy. Combined Methods from High-Throughput Density Functional Theory and Materials Informatics to Efficiently Find Novel Solid Electrolyte Candidates for All-Solid-State Battery Application. Accelerating material discovery by smart high-throughput computations. 2019
  13. JALEM Randy. Approaches and Challenges in Finding Promising Novel Solid Electrolytes for All-Solid-State Battery Application by Materials Simulations and Machine Learning Techniques. 第44回 MaDIS研究交流会 https://www.nims.go.jp/research/MaDIS/events/hdfqf100000fixxf.html. 2019
  14. TATEYAMA, Yoshitaka, JALEM, Randy, DFT computational study on stability and ion diffusion in Na3SbS4 solid electrolyte for all-solid-state batteries. the 22nd International Conference on Solid State Ionics (SSI-22). 2019
  15. TATEYAMA, Yoshitaka, GAO, Bo, JALEM, Randy, Yanming Ma. DFT Studies on Li-Ions Around Electrode-Solid Electrolyte Interfaces via Efficient Structure Search Techniques. 2019 MRS Spring Meeting & Exhibit. 2019
  16. JALEM, Randy, 金森研太, TAKEUCHI, Ichiro, TATEYAMA, Yoshitaka, NAKAYAMA, Masanobu. Finding Novel Fast Ionic Conductors Using Combined Techniques from Density Functional Theory and Materials Informatics. APS March Meeting 2019. 2019
  17. GAO, Bo, JALEM, Randy, Yanmimg Ma, TATEYAMA, Yoshitaka. First-principles study on electrode – solid electrolyte interfaces in solid-state battery via efficient structure prediction method. APS March Meeting 2019. 2019
2018
  1. ハレム ランディ, 中山 将伸. 材料シミュレーションとベイズ最適化を用いた全固体電池材料の探索. 分子科学研究所 ポスト「京」重点課題5 第5回公開シンポジウム. 2018
  2. シュクリ ガネス, JALEM, Randy, TATEYAMA, Yoshitaka. Surface Orientation Dependence of Oxygen Vacancy and Ni/Li Cation Mixing Defects Formation in Li(Ni0.8Co0.1Mn0.1)O2 Cathode Materials. 2018 Materials Research Society Fall Meeting. 2018
  3. GAO, Bo, JALEM, Randy, Yamming Ma, TATEYAMA, Yoshitaka. Investigation of Interface Reaction between LiCoO2 and Sulfide Electrolyte in an All-Solid-State Battery from First-Principle Structure Prediction Method. 第59回電池討論会. 2018
  4. JALEM, Randy, 竹内一郎, 金森研太, TATEYAMA, Yoshitaka, 中山 将伸. Efficient search of novel ion conductive ceramics by combining first-principles calculations and materials informatics. The 22nd International Symposium on Batteries, Fuel Cells, and Capacitors - The 59th Battery Symposium in Japan . 2018
  5. シュクリ ガネス, ハレム ランディ, 館山 佳尚. 層状構造を持つLi(NixCoyMnz)O2正極材料の表面欠陥に関する第一原理計算解析. 第59回電池討論会. 2018
  6. シュクリ ガネス, TATEYAMA, Yoshitaka, JALEM, Randy. DFT Investigations of Surface Defects in Li(NixCoyMnz)O2 Layered Materials: Promising Cathode for Next Generation Battery. 14th International Conference on Atomically Controlled Surfaces, Interfaces and Nanostructures (ACSIN-14). 2018
  7. 高 博, ハレム ランディ, Yanming Ma, 館山 佳尚. Structure Search and Property Analysis of Interfaces between LiCoO2 Cathode and Sulfide Electrolyte in Solid-State Battery via DFT-CALYPSO Method. International Workshop COMDI2018. 2018
  8. ハレム ランディ, 夏目亮祐, 中山 将伸. 第一原理計算を用いたNa3Ti2P2O10FのNaイオン電導特性の調査. The 19th International Meeting on Lithium Batteries (IMLB2018). 2018
  9. ハレム ランディ, 館山 佳尚, 中山 将伸. Combining Materials Modelling and Informatics Techniques for Efficient Search of Fast Lithium Ionic Conductors for All-Solid-State Battery Application. International Battery Seminar and Exhibit. 2018
  10. ハレム ランディ, 夏目亮祐, 中山 将伸. First-principles Investigation on Oxyfluorinated Titanium(IV) Phosphate Na3Ti2P2O10F Anode Material for Sodium Ion Batteries. International Battery Association (IBA 2018). 2018
  11. ハレム ランディ. 材料シミュレーションとマテリアルズ・ インフォマティクスによる全固体電池材料の探索. 第17回 GREENシンポジウム. 2018

その他の文献 TSV

特許 TSV

登録特許
    公開特許出願
    1. 特開2021136192号 リチウムリッチアンチペロブスカイト化合物、リチウムイオン二次電池用固体電解質およびリチウムイオン固体二次電池 (2021)
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