Skip to main content

Advertisement

Table 1 Bandgap ( E gap ), Zn-N bond lengths ( R Zn-N ), and formation energies ( E f ) of Ag-N-codoped ZnO nanotubes

From: Electronic structures and optical properties for Ag-N-codoped ZnO nanotubes

  Egap(eV) RAg-N(Å) RZn-N(Å) RAg-O(Å) Ef(eV)
(8,0) Ag1 1.17 - - 1.868 0.410
(8,0) Ag1N2 1.10 1.853 1.838 1.883 0.523
(8,0) Ag1N3,4 1.20 1.860 1.836 1.893 0.626
(8,0) Ag1N2,3,4 1.25 1.879 1.833 - 0.719
(8,0) Ag1N5 1.15 - 1.842 1.870 0.570
(8,0) Ag1N6 1.17 - 1.846 1.869 0.572