Theoretical electronic study on cerium oxide for highly efficient hydrogen production

Takaki Nishimura, Tomohiko Ishii, Tatsuya Kodama, Genta Sakane

This study aims to theoretically clarify the high-efficiency cause of thermal reactions caused by metal doping. As a result of the DV-Xα calculation, it was clarified that the doped cerium oxide has strong bonds between a doped transition metal ion around oxygen ions.

Bulletin of the Society for Discrete Variational Xα

The Society for Discrete Variational Xα

35

1&2

11

18

1346-5015