Jump to main content
Jump to site search

Issue 9, 2019
Previous Article Next Article

Strain-enhanced properties of van der Waals heterostructure based on blue phosphorus and g-GaN as a visible-light-driven photocatalyst for water splitting

Author affiliations

Abstract

Many strategies have been developed to overcome the critical obstacles of fast recombination of photogenerated charges and the limited ability of semiconductor photocatalysts to absorb visible light. Considering all the novel properties of monolayered g-GaN and blue phosphorus (BlueP) which were revealed in recent studies, first-principles calculations were used to systematically investigate the structural stability, electronic energy, band alignment, band bending, and charge difference in the heterostructure formed by these two layered materials. The g-GaN/BlueP heterostructure is constructed by van der Waals (vdW) forces, and it possess a staggered band structure which induces electron transformation because of the different Fermi levels of the two layered materials. By aligning the Fermi levels, an interfacial electric field is built and it causes band bending, which can promote effective separation of photoexcited holes and electrons; the band-bending phenomenon was also calculated according to density functional theory (DFT). Moreover, effects of in-plane strain on the tuned bandgap, energy, and band edge were investigated, and the results show that the optical-absorption performance in the visible-light range can be improved. The findings reported in this paper are expected to provide theoretical support for the use of the g-GaN/BlueP vdW heterostructure as a photocatalyst for water splitting.

Graphical abstract: Strain-enhanced properties of van der Waals heterostructure based on blue phosphorus and g-GaN as a visible-light-driven photocatalyst for water splitting

Back to tab navigation

Article information


Submitted
14 Nov 2018
Accepted
12 Dec 2018
First published
06 Feb 2019

This article is Open Access

RSC Adv., 2019,9, 4816-4823
Article type
Paper

Strain-enhanced properties of van der Waals heterostructure based on blue phosphorus and g-GaN as a visible-light-driven photocatalyst for water splitting

K. Ren, S. Wang, Y. Luo, Y. Xu, M. Sun, J. Yu and W. Tang, RSC Adv., 2019, 9, 4816
DOI: 10.1039/C8RA09378D

This article is licensed under a Creative Commons Attribution-NonCommercial 3.0 Unported Licence. Material from this article can be used in other publications provided that the correct acknowledgement is given with the reproduced material and it is not used for commercial purposes.

Reproduced material should be attributed as follows:

  • For reproduction of material from NJC:
    [Original citation] - Published by The Royal Society of Chemistry (RSC) on behalf of the Centre National de la Recherche Scientifique (CNRS) and the RSC.
  • For reproduction of material from PCCP:
    [Original citation] - Published by the PCCP Owner Societies.
  • For reproduction of material from PPS:
    [Original citation] - Published by The Royal Society of Chemistry (RSC) on behalf of the European Society for Photobiology, the European Photochemistry Association, and RSC.
  • For reproduction of material from all other RSC journals:
    [Original citation] - Published by The Royal Society of Chemistry.

Information about reproducing material from RSC articles with different licences is available on our Permission Requests page.


Social activity

Search articles by author

Spotlight

Advertisements