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General Enquiry

Fax: +(852)-3442-0688
Address: G5703, 5/F, Yeung Kin Man Academic Building (YEUNG),
City University of Hong Kong,
Tat Chee Avenue, Kowloon, Hong Kong SAR
First-principles studies on battery electrolytes, electrodes and interfaces
Speaker Name
Dr. Yoshitaka TATEYAMA
Speaker Detail

Group Leader
Center for Green Research on Energy and Environmental Materials,
National Institute for Materials Science (NIMS), Japan

B5-209, 5/F, Yeung Kin Man Academic Building, City University of Hong Kong, Kowloon Tong, Kowloon, Hong Kong

Organizer: School of Energy and Environment
City University of Hong Kong


Improvement of current Li-ion batteries and development of next-generation batteries have been a most important issue for future renewable energy society. Besides, the microscopic phenomena inside the batteries are full of interesting electronics, ionics and redox chemistry from a fundamental viewpoint. However, the in-situ or operando measurement is still difficult to capture what’s going on the atomic scale under the operation.

To elucidate such microscopic processes in batteries, we have investigated several selected issues on battery electrolytes, electrodes and interfaces, with first-principles density-functional theory calculations. We have theoretically proposed novel mechanisms of reductive decomposition of electrolyte molecules and formation mechanism of interfacial film (so called SEI film) on the anode, peculiar chemistry of superconcentrated electrolyte and Na-excess cathode materials, and possible origin of interfacial resistance to the ion transport in all-solid-state Li-ion batteries, all of which are long-standing issues or current hot topics in the battery field. In this talk, I’ll introduce these computational explorations in our group.

About the Speaker

Yoshitaka Tateyama is a group leader in Center for Green Research on Energy and Environmental Materials (GREEN), National Institute for Materials Science (NIMS), Tsukuba and a project professor in Elements Strategy Initiative for Catalysts & Batteries (ESICB), Kyoto University. He received his Ph.D degree in physics from The University of Tokyo in 1998 and joined NIMS. He has been awarded JST-PRESTO researcher fellowship twice and involved in several national projects on batteries as well as high-performance computing.

His main research interest includes comprehensive understanding of interfacial redox phenomena in materials science and contribution to the development of batteries, solar cells, and catalysts, via theoretical and computational approaches. He’s been working on development of computational techniques for redox chemistry and electrochemistry as well.