[Akira Nakayama] in silico design of hybrid and nano-confined metal-oxide based catalysts

Research Director

Akira Nakayama

Akira Nakayama

Institute for Catalysis, Hokkaido University
Associate Professor

Outline

Nano-confined and hybrid homogeneous-heterogeneous catalysts are designed in silico for methane and low olefin activation by first-principles DFT calculations. In particular, we focus on novel catalytic sites realized by nano-confinement through the slit structure sandwiched by two different heterogeneous catalysts. Hybrid homogenous-heterogeneous catalysis are also designed, where the cooperative effects of organic molecules and redox and/or acid-base sites of metal-oxides are optimally utilized.

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