Abstract
The effects of external stress fieldfon band gapEg(D,f) of ZnO nanowires (NWs) in a diameter range ofD= 0.6 - 2.0 nm are investigated using first-principles density-function theory for the future application as nanogenerators. It is shown that theEg(D,0) values decreases with the increasing diameter of ZnO NWs without the stress field. Moreover,Eg(D, f) decreases with increasing offdue to the rapid drop of conduction band maximum of ZnO NWs whenDis constant. These findings imply thatEg(D,f) functions of ZnO NWs can be modulated by manipulatingDandf, which may be help for design of ZnO nanogenerators with a higher generation output voltage.
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