DFT calculation of vibrational frequency of hydrogen atoms on Pt electrodes: Analysis of the electric field dependence of the Pt-H stretching frequency

The electric field dependence of vibrational frequency of H atoms on Pt electrodes was investigated by DFT calculations for the Pt13 cluster with adsorbed atop H atom. Calculations show that the external field, which was significantly enhanced by the solvent effect, affects Pt-H stretching frequency. Our results agree semi-quantitatively with large Pt-H frequency change observed experimentally.