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Step-by-Step Mechanism Insights into the TiO2/Ce2S3 S‑Scheme Photocatalyst for Enhanced Aniline Production with Water as a Proton Source
journal contribution
posted on 2021-12-14, 15:40 authored by Feiyan Xu, Kai Meng, Shuang Cao, Chenhui Jiang, Tao Chen, Jingsan Xu, Jiaguo YuExploring
heterostructured photocatalysts for the photocatalytic
hydrogenation reaction with water as a proton source and investigating
the corresponding intrinsic step-by-step mechanism are of great interest.
Here, we develop an S-scheme heterojunction through theoretical design
and carried out solvothermal growth of Ce2S3 nanoparticles (NPs) onto electrospun TiO2 nanofibers.
The low-dimensional (0D/1D) heterostructure unveils enhanced photocatalytic
activity for aniline production by nitrobenzene hydrogenation with
water as a proton source. Density functional theory (DFT) calculations
indicate the electrons transfer from Ce2S3 to
TiO2 upon hybridization due to their Fermi level difference
and creates an internal electric field at the interface, driving the
separation of the photoexcited charge carriers, which is authenticated
by in situ X-ray photoelectron spectroscopy along
with femtosecond transient absorption spectroscopy. The step-by-step
reaction mechanism of the photocatalytic nitrobenzene hydrogenation
to yield aniline is revealed by in situ diffuse reflectance
infrared Fourier transform spectroscopy, associated with DFT computational
prediction.
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upon hybridization duephotoexcited charge carriersinternal electric fieldfermi level differencedensity functional theoryphotocatalytic hydrogenation reaction‑ scheme photocatalystcorresponding intrinsic stepphotocatalytic nitrobenzene hydrogenationstep reaction mechanismstep mechanism insightsonto electrospun tiodft computational prediction3 sub2 subenhanced aniline productionnitrobenzene hydrogenationstep mechanismaniline productionsitu scheme heterojunctionyield anilinetheoretical designsolvothermal growthproton sourcegreat interestelectrons transfercalculations indicate