Sulfur dioxide molecule sensors based on zigzag graphene nanoribbons with and without Cr dopant

Structure, electronic, and transport properties of sulfur dioxide (SO2) molecule adsorbed on pure and Cr doped zigzag graphene nanoribbons (ZGNRs) are investigated by means of first principle density functional theory and nonequilibrium Green's function computations. It is found that Cr doped ZGNR is more sensitive to SO2 molecule than pure ZGNR. The pure ZGNRs with and without SO2 molecule show similar I-V curves, but the current of Cr doped ZGNR will significant increase after SO2 molecule adsorption. (C) 2014 Elsevier B.V. All rights reserved.