Investigation of the adsorption of amino acids on Pd(1Â 1Â 1): A density functional theory study

- Density functional theory calculations have been performed to study the adsorption of glycine, alanine, norvaline, valine, proline, cysteine, and serine on Pd(1 1 1).
- The common structural framework for the adsorption of most amino acids onto Pd(1 1 1) is in a tridentate fashion via a nitrogen atom and two oxygen atoms.
- The shifts in vibrational frequencies associated with NHH and COO support the adsorption patterns of amino acids we examined.
- The adsorption strength of amino acids depends on how much the molecules deform during the adsorption process.