2D layered SiC/C₂N van der Waals type-II heterostructure: a visible-light-driven photocatalyst for water splitting

Abstract

Exploring simple, efficient and low cost photocatalyst for hydrogen production driven by visible light is a hot topic in the field of photocatalysis. Here, we study a two-dimensional (2D) layered...

Boosting the photocatalytic H2 evolution activity of type-II g-GaN/Sc2CO2 van der Waals heterostructure using applied biaxial strain and external electric field

“…Generally, a stable heterostructure may favourably synthesise when the lattice mismatch is 5%. 55 The interlayer lattice mismatch between g-GaN and Sc 2 CO 2 monolayers is 5.38%, which is acceptable and accessible in the experimental synthesis because their interfaces are flexible and can accommodate this mismatch. 53 Thus, the small lattice mismatch within 5.38% in all directions means high possibility to grow heterostructure among these compounds.…”

Enhancing the photocatalytic hydrogen generation performance and strain regulation of the vertical GeI2/C2N van der Waals heterostructure: insights from first-principles study

“…However, it is feasible to perform an electron transition at lower energy, but a phonon is required. Moreover, the reduced bandgap energy will benefit more visible light absorption with significant solar energy conversion efficiency and make the transfer and separation of photogenerated charge carriers easy with the contribution of phonons, which is similar to other indirect C 2 N-based heterostructures, such as InSe/C 2 N 85 and SiC/C 2 N. 70 The bandgap value of GeI 2 /C 2 N heterostructure is greater than the minimum bandgap energy (1.23 eV) necessary for photocatalysis processes, 86 implying that it might be used as an efficient visible light photocatalyst for H 2 generation. 87 The density of states in Fig.…”

“…1b is a direct bandgap semiconductor (2.25 eV), which agrees with an earlier study. 70 Because the experimental measurement is done on multilayer materials, 70 this value is higher than the experimental value (1.96 eV). 71 The valence band maximum (VBM) and conduction band minimum (CBM) of C 2 N are at the G point.…”

“…Though 2D materials may provide more efficient redox reactions than their bulk equivalents, their photocatalytic efficacy is limited due to the high electron-hole recombination rate because the orbitals in the conduction band (CB) and valence band (VB) are not completely separated in space. 24 C 2 N also suffers from a significantly high electron-hole recombination rate, which prohibits its further applications. 25,26 As a result, a technique for the effective separation of photogenerated charge carriers must be investigated as soon as possible.…”

Insight into the enhanced photocatalytic activity of Mo and P codoped SrTiO3from first-principles prediction

“…As mentioned previously in the literature, the enhanced oxidation or reduction capacity depends on the downward shi of the VBM or the upward shi of the CBM, respectively. 54,55 In the cases of the three (Mo + P) codoped congurations, the CBMs shied upward by 0.83, 0.90 and 0.95 eV, respectively, as compared to the pure SrTiO 3 , which implies that the photo-reduction ability is enhanced, and the absorption edges move towards the visible light region. The VBMs of the three codoped systems moved downward as compared to that of pure SrTiO 3 by 0.66, 0.73 and 0.78 eV, respectively, which means that the oxidation ability is also improved.…”