Theoretical Insights into the Role of Water Molecule in The Aqueous/Cu(111) Interface during Corrosion Pathway

The absorption and possible reaction paths during corrosion have been systematically identified at the molecular level by us-ing density functional theory calculations. The results show that the co-adsorbed water molecule has a two-fold impact on the corrosive kinetics process. The one is the solvation effect, where water molecule affects the various reactions through ion dipole interaction, without bond fracture and formation. Another is the H-transfer mediator, where the bond of co-adsorbed water molecule breaks and regenerates in order to transfer hydrogen atoms.

Water Molecule Adsorption on Vertically Aligned Single-Walled Carbon Nanotubes

A single walled carbon nanotube, which adsorbed water molecule in its nano channel, was observed using Raman spectroscopy, and two samples’ spectrums were compared under the same conditions. The SWNT samples that were vertically aligned on the silicon substrate were used. One of the samples was not covered by polymer whereas the other sample was covered by polymer. In our experiment, a nano channel was made using a nanosecond pulse laser (Nd:YAG laser). In order to adjust the focus, the sample was set on the automatic stage and controlled on the PC using a USB camera to watch closely. By moving the stage for over 30 seconds, the sample was processed to make the nano channel. The cell with the laser-processed sample in it was set on the Raman spectroscopy’s platform. Then, the cell was connected to the vacuum chamber and erlenmeyer flask by the valve. Both of the valves were opened first and left for a while to make the cell vacuum. Second, the vacuum chamber’s valve was closed and left for a while to let water molecule spread in the cell. Finally, the SWNT successfully adsorbed water molecule in its nano channel. Ar-ion laser was used in the Raman spectroscopy and the laser wavelength is 488nm. With the Raman spectroscopy, Radial Breathing Mode (RBM), D-band, and G-band were mainly observed. The RBM, D-band, and G-band originated from radial vibration frequency, defective structure, and graphite structure respectively. According to the sample types, the RBM spectrums were compared in our experiment.