16 citations · 39 across the 4 of their papers we have counts for
4 papers
Theoretical Analysis on the Stability of 1-Pyrenebutanoic Acid Succinimidyl Ester Adsorbed on Graphene
Yasuhiro Oishi, Hirotsugu Ogi, Satoshi Hagiwara +2
The adsorbed structure of 1-pyrenebutanoic acid succinimidyl ester (PASE) on graphene was investigated based on density functional theory. We found two locally stable structures: a…
Bias-dependent diffusion of HO molecules on an Al(111) surface
Satoshi Hagiwara, Chunping Hu, Satomichi Nishihara +1
We investigate the process by which a water molecule diffuses on the surface of an Al(111) electrode under constant bias voltage by first-principles density functional theory. To u…
Study on the free corrosion potential at an interface between an Al electrode and an acidic aqueous NaCl solution through density functional theory combined with the reference interaction site model
Koichi Kano, Satoshi Hagiwara, Takahiro Igarashi +1
We investigated the free corrosion potential at an interface between an Al electrode and an aqueous NaCl solution (NaCl(aq)) under acidic conditions via density functional theory c…
Time-Dependent Multi-Component Density Functional Theory for Coupled Electron-Positron Dynamics
Yasumitsu Suzuki, Satoshi Hagiwara, Kazuyuki Watanabe
Electron-positron interactions have been utilized in various fields of science. Here we develop time-dependent multi-component density functional theory to study the coupled electr…