Welcome to NIMS GREEN IFCS group homepage
(For Japanese version, please click on the Japanese flag above.)
Interface Computational Science (IFCS) group, Center for Green Research on Energy and Environmental Materials (GREEN), National Institute for Materials Science (NIMS) was originally established in October 2007. The group partially belongs to MANA and MaDIS-cMI2, NIMS as well.
The IFCS group is working on theoretical/computational/data-driven AI researches on energy and environmental issues associated with battery, solar cell and catalyst.
We enjoy discussions about novel theories/computational methods as well as update experimental findings in physics, chemistry and materials science. In particular, we focus on quantitative simulations of electrochemical phenomena at solid-liquid and solid-solid interfaces on the atomic and electronic scales, and mainly deal with transition metal oxide and semiconductor electrodes as well as water and organic solvents.
As interface simulation is a cutting-edge research in the world, we enjoy the update theories, methods & various interfacial phenomena with high-quality researchers working on similar targets.
The group is seeking contributions to both theoretical/computational sciences and practical physics, chemistry and nano-science. In this respect, we are interested in understanding realistic systems/phenomena, and pleased to discuss with experimentalists, intensively. From application point of view, we're working on issues in batteries, catalysts & solar cel etc., and have collaborations with experimentalists as well as industry researchers. Of course, we're very happy to have discussions of theory and computational techniques as expert computational scientists.
- Tateyama Laboratories will be open at (1) Department of Nanoscience and Nanoengineering, Graduate School of Advanced Science and Engineering, Waseda University, (2) Tokyo Tech Academy for Convergence of Materials and Informatics, Tokyo Institute of Technology. We can accept ph.D students (+ internship students) who would like to do theoretical/computational/data-driven AI researches on battery, solar cell, and catalyst via these graduate schools. For detail, please visit the advertisement page. (07/01/19)
- GL Dr. Tateyama co-organised Symposium EN01 "Solid-Solid Interfaces in Batteries, Energy Storage and Conversion—Diagnostic and Modeling”in 2018 MRS SPRING MEETING & EXHIBIT(2-6 April 2018, Phoenix), with Dr. Kevin Leung, Prof. Yue Qi & Prof. Bruce Dunn, (02/04/18)
- Dr. R. Jalem, an expert of Materials Informatics, joined the IFCS group as a tenure researcher. (01/12/17)
- GL Dr. Tateyama co-organised CPMD2017 Workshop (18-20 October 2017, Tsukuba) with Prof. Atsushi Oshiyama, (CPMD2017 Workshop webpage). Thank you for your cooperation! (20/10/17)
Recent results: (Please visit “output" page as well.)
- Novel technique: We implemented “first-principles microkinetic analysis of inhomogeneous catalysis"
- Atsuhi Ishikawa , Yoshitaka Tateyama, J. Phys. Chem. C 122, 17378-17388 (2018). DOI: https://dx.doi.org/10.1021/acs.jpcc.8b05906
- Novel technique: We demonstrated battery solid-electrolyte search with Bayesian-driven first-principles calculations.
- Randy Jalem, K. Kanamori, I. Takeuchi, M. Nakayama, H. Yamasaki, T. Saito, Sci. Rep. 8, 5845 (2018). DOI:https://dx.doi.org/10.1038/s41598-018-23852-y
- Elucidation: First DFT study on Na-excess battery systems with 4d transition metal oxides suggested a way for higher energy density batteries.
- M. H. N. Assadi, M. Okubo, A. Yamada, Yoshitaka Tateyama, J. Mater. Chem. A 6, 3747-3753 (2018). DOI:https://dx.doi.org/10.1039/C7TA10826E
- Contribution; development of new type of battery electrolytes "Fire-extinguisher"
- J. Wang, Y. Yamada, K. Sodeyama, E. Watanabe, K. Takada, Yoshitaka Tateyama, A. Yamada, Nat. Energy (2017). DOI:http://dx.doi.org/10.1038/s41560-017-0033-8
- Elucidation: Cation-exchange effect on the interfacial resistance of all-solid-state battery.
- J. Haruyama, K. Sodeyama, Yoshitaka Tateyama, ACS Appl. Mater. Interfaces 9, 286-292 (2017). DOI:http://dx.doi.org/10.1021/acsami.6b08435
- Contribution; development of new type of battery electrolyte involving "hydrate melt"
- Y. Yamada, K. Usui, K. Sodeyama, S. Ko, Yoshitaka Tateyama, A. Yamada, Nat. Energy 1, 16129 (2016). DOI:http://dx.doi.org/10.1038/NENERGY.2016.129
- Elucidation: Water dissociation dynamics on CeO2/Pt nanoparticle/water interface.
- M. F. Camellone, F. N. Ribeiro, Lucie Szabova, Yoshitaka Tateyama, S. Fabris, J. Am. Chem. Soc. 138, 11560-11567 (2016). DOI:http://dx.doi.org/10.1021/jacs.6b03446
- Proposal: cation diffusion is responsible for degradation and I-V curve hysteresis of Perovskite Solar Cell (PSC) materials, and suggested how to remedy.
- J. Haruyama, K. Sodeyama, L. Han, Yoshitaka Tateyama, J. Am. Chem. Soc. 137, 10048-10051 (2015). DOI:http://dx.doi.org/10.1021/jacs.5b03615