In
the present work, photoanodic response of ZnTe thin films is
enhanced by incorporating oxygen, which is explained by analyzing
oxygen-induced modifications in structural, optical, and electronic
behavior of ZnTe thin films, using detailed experimental characterizations
and density functional theory (DFT) based calculations. On incorporating
oxygen, the nanocrystalline character of ZnTe is increased with a
change in optical properties due to absorption through sub band states
and an increase in fundamental absorption edge. From DFT analysis,
origin of these sub band gap states is attributed to oxygen incorporation
induced electronic states and Te vacancies. Photoelectrochemical (PEC)
performances of ZnTe with and without oxygen have been investigated
where a change over from photocathodic response for ZnTe to enhanced
photoanodic response for ZnTe:O thin films along with increased response
for low energy photons is observed. These findings are explained in
terms of oxygen induced modification in visible light absorption,
enhanced surface area due to increased nanocrystalline character and
modified electronic properties of ZnTe:O thin films. Modifications
in optical properties and enhancement in PEC performance by oxygen
incorporation shown in the present study may be useful for developing
ZnTe-based photovoltaic devices.