Cargando…

Bilayer MoSe(2)/HfS(2) Nanocomposite as a Potential Visible-Light-Driven Z-Scheme Photocatalyst

Visible-light-driven photocatalytic overall water splitting is deemed to be an ideal way to generate clean and renewable energy. The direct Z-scheme photocatalytic systems, which can realize the effective separation of photoinduced carriers and possess outstanding redox ability, have attracted a hug...

Descripción completa

Detalles Bibliográficos
Autores principales: Wang, Biao, Wang, Xiaotian, Wang, Peng, Yang, Tie, Yuan, Hongkuan, Wang, Guangzhao, Chen, Hong
Formato: Online Artículo Texto
Lenguaje:English
Publicado: MDPI 2019
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6955844/
https://www.ncbi.nlm.nih.gov/pubmed/31795287
http://dx.doi.org/10.3390/nano9121706
_version_ 1783487022348894208
author Wang, Biao
Wang, Xiaotian
Wang, Peng
Yang, Tie
Yuan, Hongkuan
Wang, Guangzhao
Chen, Hong
author_facet Wang, Biao
Wang, Xiaotian
Wang, Peng
Yang, Tie
Yuan, Hongkuan
Wang, Guangzhao
Chen, Hong
author_sort Wang, Biao
collection PubMed
description Visible-light-driven photocatalytic overall water splitting is deemed to be an ideal way to generate clean and renewable energy. The direct Z-scheme photocatalytic systems, which can realize the effective separation of photoinduced carriers and possess outstanding redox ability, have attracted a huge amount of interest. In this work, we have studied the photocatalytic performance of the bilayer MoSe(2)/HfS(2) van der Waals (vdW) heterojunction following the direct Z-scheme mechanism by employing the hybrid density functional theory. Our calculated results show that the HfS(2) and MoSe(2) single layers in this heterojunction are used for the oxygen evolution reaction (OER) and hydrogen evolution reaction (HER), respectively. The charge transfer between the two layers brought about an internal electric field pointing from the MoSe(2) layer to the HfS(2) slab, which can accelerate the separation of the photoinduced electron–hole pairs and support the Z-scheme electron migration near the interface. Excitingly, the optical absorption intensity of the MoSe(2)/HfS(2) heterojunction is enhanced in the visible and infrared region. As a result, these results reveal that the MoSe(2)/HfS(2) heterojunction is a promising direct Z-scheme photocatalyst for photocatalytic overall water splitting.
format Online
Article
Text
id pubmed-6955844
institution National Center for Biotechnology Information
language English
publishDate 2019
publisher MDPI
record_format MEDLINE/PubMed
spelling pubmed-69558442020-01-23 Bilayer MoSe(2)/HfS(2) Nanocomposite as a Potential Visible-Light-Driven Z-Scheme Photocatalyst Wang, Biao Wang, Xiaotian Wang, Peng Yang, Tie Yuan, Hongkuan Wang, Guangzhao Chen, Hong Nanomaterials (Basel) Article Visible-light-driven photocatalytic overall water splitting is deemed to be an ideal way to generate clean and renewable energy. The direct Z-scheme photocatalytic systems, which can realize the effective separation of photoinduced carriers and possess outstanding redox ability, have attracted a huge amount of interest. In this work, we have studied the photocatalytic performance of the bilayer MoSe(2)/HfS(2) van der Waals (vdW) heterojunction following the direct Z-scheme mechanism by employing the hybrid density functional theory. Our calculated results show that the HfS(2) and MoSe(2) single layers in this heterojunction are used for the oxygen evolution reaction (OER) and hydrogen evolution reaction (HER), respectively. The charge transfer between the two layers brought about an internal electric field pointing from the MoSe(2) layer to the HfS(2) slab, which can accelerate the separation of the photoinduced electron–hole pairs and support the Z-scheme electron migration near the interface. Excitingly, the optical absorption intensity of the MoSe(2)/HfS(2) heterojunction is enhanced in the visible and infrared region. As a result, these results reveal that the MoSe(2)/HfS(2) heterojunction is a promising direct Z-scheme photocatalyst for photocatalytic overall water splitting. MDPI 2019-11-28 /pmc/articles/PMC6955844/ /pubmed/31795287 http://dx.doi.org/10.3390/nano9121706 Text en © 2019 by the authors. Licensee MDPI, Basel, Switzerland. This article is an open access article distributed under the terms and conditions of the Creative Commons Attribution (CC BY) license (http://creativecommons.org/licenses/by/4.0/).
spellingShingle Article
Wang, Biao
Wang, Xiaotian
Wang, Peng
Yang, Tie
Yuan, Hongkuan
Wang, Guangzhao
Chen, Hong
Bilayer MoSe(2)/HfS(2) Nanocomposite as a Potential Visible-Light-Driven Z-Scheme Photocatalyst
title Bilayer MoSe(2)/HfS(2) Nanocomposite as a Potential Visible-Light-Driven Z-Scheme Photocatalyst
title_full Bilayer MoSe(2)/HfS(2) Nanocomposite as a Potential Visible-Light-Driven Z-Scheme Photocatalyst
title_fullStr Bilayer MoSe(2)/HfS(2) Nanocomposite as a Potential Visible-Light-Driven Z-Scheme Photocatalyst
title_full_unstemmed Bilayer MoSe(2)/HfS(2) Nanocomposite as a Potential Visible-Light-Driven Z-Scheme Photocatalyst
title_short Bilayer MoSe(2)/HfS(2) Nanocomposite as a Potential Visible-Light-Driven Z-Scheme Photocatalyst
title_sort bilayer mose(2)/hfs(2) nanocomposite as a potential visible-light-driven z-scheme photocatalyst
topic Article
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6955844/
https://www.ncbi.nlm.nih.gov/pubmed/31795287
http://dx.doi.org/10.3390/nano9121706
work_keys_str_mv AT wangbiao bilayermose2hfs2nanocompositeasapotentialvisiblelightdrivenzschemephotocatalyst
AT wangxiaotian bilayermose2hfs2nanocompositeasapotentialvisiblelightdrivenzschemephotocatalyst
AT wangpeng bilayermose2hfs2nanocompositeasapotentialvisiblelightdrivenzschemephotocatalyst
AT yangtie bilayermose2hfs2nanocompositeasapotentialvisiblelightdrivenzschemephotocatalyst
AT yuanhongkuan bilayermose2hfs2nanocompositeasapotentialvisiblelightdrivenzschemephotocatalyst
AT wangguangzhao bilayermose2hfs2nanocompositeasapotentialvisiblelightdrivenzschemephotocatalyst
AT chenhong bilayermose2hfs2nanocompositeasapotentialvisiblelightdrivenzschemephotocatalyst