A Density Functional Theory (DFT) Perspective on Optical Absorption of Modified Graphene Interacting with the Main Amino Acids of Spider Silk

We investigated the possible adsorption of each main building blocks spider silk: alanine, glycine, leucine, and proline. This knowledge could help develop new biocompatible materials favors creation biosensors. used ab initio density functional theory methods to study variations in optical absorption, reflectivity, band structure a modified graphene surface interacting with these four molecules. Four modification cases were considered: vacancies at 5.55% fluorine, nitrogen, or oxygen doping, also 5.55%. found that, among considered, is best candidate biosensors detect C=O amide differentiate glycine leucine from alanine proline visible spectrum region. Finally, projected states, changes occur deep energies. Thus, all graphene’s electronic energy undergoes only tiny when amino acids.