Department of Computational and Data Sciences
Department Seminar
Speaker: Prof. Minoru Otani, Professor, Center for Computational Sciences, University of Tsukuba
Title : “Multi-scale simulations for interfacial electrochemical processes”
Date & Time: November 12th, 2025 (Wednesday), 15:00 PM
Venue : # 102, CDS Seminar Hall
ABSTRACT
Developing efficient electrode catalysts for water electrolysis and fuel cells is essential to building a sustainable hydrogen society. These catalysts enable the conversion of water into hydrogen and oxygen, providing a renewable hydrogen source for clean energy. Additionally, stable energy storage is necessary to balance the intermittent nature of renewables like solar and wind. High-capacity, long-life batteries play a critical role in maintaining this energy supply consistency, bridging the gap when renewable sources fluctuate. Electrochemistry is central to these advancements, providing crucial insights into reactions at the metal-electrolyte interface. These insights are essential for improving energy conversion efficiency, energy storage, and corrosion reduction.
Over the past two decades, our research group has dedicated itself to developing theoretical models and simulation techniques to understand these complex electrochemical reactions.[1] These models help reveal the detailed interface mechanisms, advancing fundamental knowledge. In this talk, I will introduce recent applications of our simulations. First, I will discuss our work on a newly developed oxygen evolution electrode (r-BS), focusing on its active sites for water electrolysis. Further, I will also present our recent studies on surface stress at electrode surfaces under applied bias voltages [3] and on corrosion mechanisms at metal/oxide interfaces [4].
[1] M. Otani, O. Sugino,Phys. Rev. B 73, 115407 (2006); N. Bonnet, T. Morishita, O. Sugino, M. Otani, Phys. Rev. Lett. 109, 266101 (2012); S. Nishihara, M. Otani, Phys. Rev. B 96, 115429, (2017); J. Haruyama, T. Ikeshoji, M. Otani, M. Phys. Rev. Mater. 2, 095801 (2018).
[2] Li, L, et al., Chem. Eng. 471, 144489 (2018); Hagiwara, S.; Kuroda, F.; Kondo, T.; Otani, M. ACS Appl. Mater. Interfaces 15, 50174 (2018).
[3] S. Hagiwara, S. Ishibashi, M. Otani, Phys. Rev. B 110, 155409 (2024).
[4] S. Hagiwara, T. Murata, M. Otani, Corr. Sci. 256 113150 (2025).
BIO: Minoru Otani is a Professor at the Center for Computational Sciences, University of Tsukuba, specializing in developing advanced methodologies for analyzing electrochemical interface reactions. He obtained his Ph.D. in Science from Osaka University in 2000. After serving as an Assistant Professor at the University of Tokyo (2003–2008) and as a Senior Researcher at the National Institute of Advanced Industrial Science and Technology (AIST) (2008–2021), he took up his current position in 2021. His work focuses on theoretical and simulation techniques that provide insights into energy conversion, storage, and corrosion prevention.
Host Faculty: Dr. Phani Motamarri
ALL ARE WELCOME
