Larijani HT1, Jahanshahi M1, Ganji MD2, Kiani MH3.
Phys Chem Chem Phys. 2016 Dec 22. doi: 10.1039/c6cp06672k. [Epub ahead of print]In the present work, the adsorption of glycine amino acid and its zwitterionic form onto three different hexagonal sheets, namely graphene, boron-nitride (h-BN) and silicon carbide (h-SiC), has been investigated within the framework of Density Functional Theory (DFT) calculations. The energetics and geometrical parameters of the considered systems have been explored at the GGA-PBE level in combination with Grimme's empirical dispersion corrections with Becke-Johnson damping, the DFT-D3(BJ) method. Read More