About the Research
Research Theme
Computational studies on metal cluster catalysts
Keyword
Computational chemistry
Research Outline
My research topic is to investigate catalytic reactions by sub-nanometric metal clusters with DFT methods. Recently, I am focusing on computational screening of the catalytic activities of alloys toward applications of multi-metallic catalysts.
Representative Research Achievements
- A Systematic Study on Bond Activation Energies of NO, N2, and O2 on Hexamers of Eight Transition Metals
T. Ichino, M. Takagi, S. Maeda. ChemCatChem, 2019, 11, 1346-1353.
DOI : 10.1002/cctc.201801595