Insights into the mechanism of the enhanced visible-light photocatalytic activity of black phosphorus/BiVO₄ heterostructure: a first-principles study

Abstract

Photocatalytic water splitting was observed on black phosphorus/BiVO4 heterostructure under visible light irradiation.

A rationally designed two-dimensional MoSe2/Ti2CO2 heterojunction for photocatalytic overall water splitting: simultaneously suppressing electron–hole recombination and photocorrosion

“…For this configuration, the vertical distance between MoSe 2 and Ti 2 CO 2 is 3.07 Å and their binding energy is confirmed to be −16.8 meV per atom (−15.9 meV Å −2 ), suggesting the presence of weak vdW interactions in the MoSe 2 /Ti 2 CO 2 heterojunction. This binding energy is comparable to that (−30 meV Å −2 ) of a 2D black phosphorus/BiVO 4 heterojunction, 40 which has been fabricated as a direct Z-scheme photocatalyst for water splitting in the experiment through a solution mixing method. 34 Solution mixing is simple and low-cost to experimentally fabricate 2D vdW heterojunctions, including 2D direct Z-scheme photocatalysts of aza-CMP/C 2 N 35 and α-Fe 2 O 3 /g-C 3 N 4 .…”

Impact of edge structures on interfacial interactions and efficient visible-light photocatalytic activity of metal–semiconductor hybrid 2D materials

“…It is also known that the electrons transfer from a lower potential region to a higher potential region. 68 Due to the significant charge transfer at the interfacial region, an internal electric field is generated which can effectively enhance the photogenerated electronhole (e − /h + ) pair separation between the MoS 2 and Si 2 BN layers. In previous investigations, it was found that a similar charge redistribution occurred in hybrid MoS 2 /graphene 60 and black phosphorus/BiVO 4 .…”

Functionalized Hybridization of 2D Nanomaterials

“…[198] Similarly, BP@TiO 2 hybrid photocatalysts were synthesized to offer enhanced photocatalytic performance and maintain ≈92% photoactivity activity after 15 runs. [201][202][203][204] For example, strong electron doping of BP with Cs 2 CO 3 nanoparticles significantly enhanced the electron mobility to ≈27 cm 2 V −1 s −1 , while surface decoration of BP with MoO 3 nanoparticles demonstrated a giant hole-doping effect. [200] Recently, more BP hybrids were fabricated by using other functional nanomaterials.…”

“…[199] In addition, SrTiO 3 was also hybridized on BP nanosheets to achieve the giant photoresponsivity with a photoinduced current change of more than 10 5 A W −1 . [201] The Zn 0.5 Cd 0.5 S nanoparticles were hybridized onto the pre-produced BP nanosheets via an ultrasonic process to achieve the hydrogen production rate as high as 137.17 mmol g −1 h −1 under the irradiation of visible light, 5 times higher than that for the pristine Zn 0.5 Cd 0.5 S. [202] After enhancing the visible-light photocatalytic activity by using synthesized Z-scheme photocatalytic BP/BiVO 4 heterostructures, [204] the hydrogen and oxygen production rates were increased to ≈160 and ≈102 mmol g −1 h −1 under the irradiation of light with a wavelength longer than 420 nm. [201][202][203][204] For example, strong electron doping of BP with Cs 2 CO 3 nanoparticles significantly enhanced the electron mobility to ≈27 cm 2 V −1 s −1 , while surface decoration of BP with MoO 3 nanoparticles demonstrated a giant hole-doping effect.…”