▎ 摘　　要

The effect of the strain in the z-direction on the electronic properties and band-gap of graphene monoxide (GMO) nano-sheet was investigated by the first principles calculations. The strain was simulated via the oxygen-oxygen vertical distance in the range of 1.11 up to 3.31 angstrom for alpha = 124 degrees and 1.05 up to 3.25 angstrom for alpha = 130 degrees. The results showed that the energy gap in the band structure of GMO could be varied in the range of 0-1.71 eV. The studied properties were included density of states, band structure, molecular orbital and the variations resulting from strains. The Mulliken population analyses and charge density differences were also computed and discussed. The variations in the band gap and other properties were interpreted in terms of the orbital overlapping, orbital populations and geometrical variations. (C) 2016 Elsevier B.V. All rights reserved.