Chaudhuri, Puspitapallab [UNESP]Frota, H. O.Mota, CiceroGhosh, Angsula2018-11-262018-11-262018-06-08Journal Of Nanoparticle Research. Dordrecht: Springer, v. 20, n. 6, 11 p., 2018.1388-0764http://hdl.handle.net/11449/164294We report theoretical analysis of charge transport process through a single glycine molecule utilizing graphene nanogaps. Density functional theory and non-equilibrium Green's function method are employed to investigate the transport properties of glycine inside the gap. The projected density of states, transmittance, and the current-voltage characteristics are determined with changes in the molecular orientation inside the nanogap of c.a 0.8 nm. The current values demonstrate a high sensitivity on the orientation of the molecule. The conductance of the molecule is also dependent on the voltage.11engGlycineGraphene nanogapDFTMolecular electronicsNanoelectronicsModeling and simulationArtigo10.1007/s11051-018-4254-yWOS:000434709500001Acesso abertoWOS000434709500001.pdf