Variation of adsorption geometries by the influence of nucleophilicity among p-CPA, p-TPA, and p-NPA on Ge(1Â 0Â 0)

- We compare adsorption structure of p-CPA, p-TPA and p-NPA using DFT calculations.
- The “O-H dissociated-N dative bonded structure” is the most favorable structure.
- The differences in the geometrical configurations are observed among molecules.
- Molecules have different tilt angles due to the different size and nucleophilicity.