Electron Transfer from Hydrogen Molecule to Au(111) During Dissociative Adsorption: A First-Principles Study

Shigeyuki Takagi, Jun-ichi Hoshino, Hidekazu Tomono +1

We investigate the electron transfer from a dissociatively adsorbed H2 molecule to a Au(111) surface using the first-principles methods. A fractional electron transfers from a mole…