Self-built field induces surface electrons to reduce H+ to atomic H* for photocatalytic hydrodechlorination of 2-chlorophenols

2-chlorophenols (2-CPs) as a biodegradation-resistant pollutant has serious threats to environment and human health. Photocatalytic hydrodechlorination (PHDC) for removal of halogenated organics in water has attracted more attention, however, low utilization-efficiency of atomic H* limits its applic...

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Autores principales:	Bo Tang, Zekang Yang, Zihan Song, Guoqiang Shi, Donglei Fu, Xiazhong Sun, Jinlong Zou, Hong Qi
Formato:	article
Lenguaje:	EN
Publicado:	Elsevier 2021
Materias:	Chlorophenols Heterojunction Photocatalytic hydrodechlorination Tungsten phosphide Chemical engineering TP155-156
Acceso en línea:	https://doaj.org/article/9f85049f94144fc6aec7c94c9210baf9
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spelling	oai:doaj.org-article:9f85049f94144fc6aec7c94c9210baf92021-11-18T04:53:34ZSelf-built field induces surface electrons to reduce H+ to atomic H* for photocatalytic hydrodechlorination of 2-chlorophenols2666-821110.1016/j.ceja.2021.100194https://doaj.org/article/9f85049f94144fc6aec7c94c9210baf92021-11-01T00:00:00Zhttp://www.sciencedirect.com/science/article/pii/S2666821121001095https://doaj.org/toc/2666-82112-chlorophenols (2-CPs) as a biodegradation-resistant pollutant has serious threats to environment and human health. Photocatalytic hydrodechlorination (PHDC) for removal of halogenated organics in water has attracted more attention, however, low utilization-efficiency of atomic H* limits its application. Here, a platinum-load tungsten phosphide/graphitic carbon nitride photocatalyst (Pt-WP/g-C3N4) with enhanced activity for conversion of 2-CPs to biodegradable phenol is designed via prior density-functional-theory (DFT) simulations. Conversion yield of phenol on Pt-WP/g-C3N4 is 92.0%, which is far higher than that of Pt-g-C3N4 (17.8%). Self-built field among Pt, WP and g-C3N4 induces photo-generated electrons migration to reduce H+, while g-C3N4 acts as a ‘H-atom lagoons’ to store H. Electron spin-resonance spectroscopy indicates that coupling of WP and Pt-g-C3N4 promotes H production and utilization. Ab-initio molecular-dynamics simulations show that Pt-W-P interface has a good resistance to deactivation to enhance H* generation. It provides a deep understanding of PHDC mechanism and a feasible way to optimize decontamination on heterojunction photocatalyst.Bo TangZekang YangZihan SongGuoqiang ShiDonglei FuXiazhong SunJinlong ZouHong QiElsevierarticleChlorophenolsHeterojunctionPhotocatalytic hydrodechlorinationTungsten phosphideChemical engineeringTP155-156ENChemical Engineering Journal Advances, Vol 8, Iss , Pp 100194- (2021)
institution	DOAJ
collection	DOAJ
language	EN
topic	Chlorophenols Heterojunction Photocatalytic hydrodechlorination Tungsten phosphide Chemical engineering TP155-156
spellingShingle	Chlorophenols Heterojunction Photocatalytic hydrodechlorination Tungsten phosphide Chemical engineering TP155-156 Bo Tang Zekang Yang Zihan Song Guoqiang Shi Donglei Fu Xiazhong Sun Jinlong Zou Hong Qi Self-built field induces surface electrons to reduce H+ to atomic H* for photocatalytic hydrodechlorination of 2-chlorophenols
description	2-chlorophenols (2-CPs) as a biodegradation-resistant pollutant has serious threats to environment and human health. Photocatalytic hydrodechlorination (PHDC) for removal of halogenated organics in water has attracted more attention, however, low utilization-efficiency of atomic H* limits its application. Here, a platinum-load tungsten phosphide/graphitic carbon nitride photocatalyst (Pt-WP/g-C3N4) with enhanced activity for conversion of 2-CPs to biodegradable phenol is designed via prior density-functional-theory (DFT) simulations. Conversion yield of phenol on Pt-WP/g-C3N4 is 92.0%, which is far higher than that of Pt-g-C3N4 (17.8%). Self-built field among Pt, WP and g-C3N4 induces photo-generated electrons migration to reduce H+, while g-C3N4 acts as a ‘H-atom lagoons’ to store H. Electron spin-resonance spectroscopy indicates that coupling of WP and Pt-g-C3N4 promotes H production and utilization. Ab-initio molecular-dynamics simulations show that Pt-W-P interface has a good resistance to deactivation to enhance H* generation. It provides a deep understanding of PHDC mechanism and a feasible way to optimize decontamination on heterojunction photocatalyst.
format	article
author	Bo Tang Zekang Yang Zihan Song Guoqiang Shi Donglei Fu Xiazhong Sun Jinlong Zou Hong Qi
author_facet	Bo Tang Zekang Yang Zihan Song Guoqiang Shi Donglei Fu Xiazhong Sun Jinlong Zou Hong Qi
author_sort	Bo Tang
title	Self-built field induces surface electrons to reduce H+ to atomic H* for photocatalytic hydrodechlorination of 2-chlorophenols
title_short	Self-built field induces surface electrons to reduce H+ to atomic H* for photocatalytic hydrodechlorination of 2-chlorophenols
title_full	Self-built field induces surface electrons to reduce H+ to atomic H* for photocatalytic hydrodechlorination of 2-chlorophenols
title_fullStr	Self-built field induces surface electrons to reduce H+ to atomic H* for photocatalytic hydrodechlorination of 2-chlorophenols
title_full_unstemmed	Self-built field induces surface electrons to reduce H+ to atomic H* for photocatalytic hydrodechlorination of 2-chlorophenols
title_sort	self-built field induces surface electrons to reduce h+ to atomic h* for photocatalytic hydrodechlorination of 2-chlorophenols
publisher	Elsevier
publishDate	2021
url	https://doaj.org/article/9f85049f94144fc6aec7c94c9210baf9
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Self-built field induces surface electrons to reduce H+ to atomic H* for photocatalytic hydrodechlorination of 2-chlorophenols

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