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We studied the electronic and the structural properties of amino acids(alanine, glycine, and histidine) attached to graphene oxide (GO) by peptidebonding, via plane wave pseudopotential total-energy calculations within thelocal spin density approximation (LSDA). The HOMO-LUMO gap, the Hirshfeldcharges, and the equilibrium geometrical structures exhibit keen variationsdepending on the species of the attached amino acid. The GO-amino acid systemappears to be a good candidate as a biosensor.

journal of the korean physical society

Plane Wave Density Functional Theory Studies of the Structural and the  Electronic Properties of Amino Acids Attached to Graphene Oxide via Peptide  Bonding