33 citations · 47 across the 5 of their papers we have counts for
3 papers · 1 filter
Factors determining surface oxygen vacancy formation energy in ternary spinel structure oxides with zinc
Yoyo Hinuma, Shinya Mine, Takashi Toyao +2
Spinel oxides are an important class of materials for heterogeneous catalysis including photocatalysis and electrocatalysis. The surface O vacancy formation energy (EOvac) is a cri…
Surface activation by electron scavenger metal nanorod adsorption on TiH2, TiC, TiN, and Ti2O3
Yoyo Hinuma, Shinya Mine, Takashi Toyao +2
Metal/oxide support perimeter sites are known to provide unique properties because the nearby metal changes the local environment on the support surface. In particular, the electro…
Comparison of Matlantis and VASP bulk formation and surface energies in metal hydrides, carbides, nitrides, oxides, and sulfides
Shinya Mine, Takashi Toyao, Ken-ichi Shimizu +1
Generic neural network potentials without forcing users to train potentials could result in significantly acceleration of total energy calculations. Takamoto et al. [Nat. Commun. (…