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In Situ Raman Probing of Chlorphenol Degradation on Different Facets of K3B6O10Br Single Crystal
journal contribution
posted on 2018-06-05, 00:00 authored by Xiaoyun Fan, Xiu Yue, Hanzhong JiaSemiconductor photocatalysts
with specific facets can induce high
reactive activities has aroused wide attention. Here, we endeavor
to gain quantitative insights into the intrinsic facet-dependent catalytic
activities of K3B6O10Br (KBB) crystal
using in situ Raman technique under room temperature by photocatalysis
dechlorination of 2,4-DCP as a model reaction. Using a well-defined
sizable KBB single crystal (size: 28 mm × 20 mm × 9 mm)
with high (211), (110), and (101) facet exposure, the time-resolved
Raman spectra for different facets have been clearly tested, it shows
that the Raman spectrum of (211) facet had a remarkable change compared
with (110) and (101) facets when the crystal was immersed in the 2,4-DCP
solution under light irradiation. Through DFT, we obtain qualitative
details on the reaction mechanisms of photocatalyzed and provide a
refined understanding of the elementary processes. It was found that
the −OH contact mode between the pollutant and the crystal
facet was the most effective mode, which can produce more •OH radicals than the other two modes. Moreover, the (211) facet offers
the largest ratio of K atoms and surface energy, making the (211)
facet more active than (110) and (101) facets.
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reaction mechanismsK 3 B 6 O 10 Br Single Crystal Semiconductor photocatalystsDifferent Facetstime-resolved Raman spectraDCPOHlight irradiationChlorphenol DegradationKBBSitu RamanK 3 B 6 O 10 Brcrystal facetreactive activitiesDFTRaman techniqueRaman spectrumphotocatalysis dechlorinationK atomssurface energymodel reactionroom temperature
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