2024
DOI: 10.1016/j.apcatb.2023.123689
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Dual defect regulation of BiOCl halogen layer enables photocatalytic O2 activation into singlet oxygen for refractory aromatic pollutant removal

Yandong Sun,
Weiguang Han,
Fangyuan Zhang
et al.
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Cited by 19 publications
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“…To theoretically demonstrate the effect of carbon layer on the enhancement of photocatalytic phenol degradation, the free energies of O 2 activation on the surface of BiOBr and graphite were calculated. According to the DFT calculation results, the paths of the activation of O 2 on different surfaces are drawn and displayed in Figure , in which the O 2 molecule adsorbs and is reduced to •O 2 – by photoexcited electrons first and then transforms to 1 O 2 by reacting with h + or H 2 O . In Figure , we can see that the formation of •O 2 – from O 2 either in BiOBr or on the graphene surface is an exothermic reaction.…”
Section: Resultsmentioning
confidence: 99%
“…To theoretically demonstrate the effect of carbon layer on the enhancement of photocatalytic phenol degradation, the free energies of O 2 activation on the surface of BiOBr and graphite were calculated. According to the DFT calculation results, the paths of the activation of O 2 on different surfaces are drawn and displayed in Figure , in which the O 2 molecule adsorbs and is reduced to •O 2 – by photoexcited electrons first and then transforms to 1 O 2 by reacting with h + or H 2 O . In Figure , we can see that the formation of •O 2 – from O 2 either in BiOBr or on the graphene surface is an exothermic reaction.…”
Section: Resultsmentioning
confidence: 99%