As
one of the most effective strategies to promote the spatial
separation of charges, constructing heterojunction has received extensive
attention in recent years. However, it remains unclear whether the
crystal facet orientation (CFO) at the heterojunction interface is
contributory to charge separation. Herein, three types of TiO2/CdS heterojunction films with different CFOs at the heterojunction
interface were produced by adjusting the CdS CFO through in situ conversion.
Among them, the TiO2/CdS film with a mixed CdS CFO showed
the maximum photocurrent density and charge separation efficiency.
In contrast, the TiO2/CdS film with a uniform CdS (100)
(CdS-100) performed worst. According to the results of experimentation
and DFT calculation, these three types of TiO2/CdS films
varied significantly in electron transport time. This is attributable
to the different Fermi levels of CdS CFO and the formation of different
built-in electric fields upon coupling with TiO2. The rise
in the Fermi level of CdS can increase the driving force required
for charge migration at the heterojunction interface. Additionally,
a stronger built-in electric field is conducive to charge separation.
To sum up, these results highlight the significant impact of CFO at
the heterojunction interface on charge separation.