33 citations · 44 across the 3 of their papers we have counts for
3 papers
cond-mat.mtrl-sci2023★ 33 cited
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…
cond-mat.mtrl-sci2023★ 11 cited
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…
cond-mat.mtrl-sci2023
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. (…