Constructing trifunctional MoTe₂/As van der Waals heterostructures for versatile energy applications

Abstract

With the rapid expansion of material application, the limitation of single layer material has become more apparent and its intrinsic properties can no longer satisfy the growing demand. Construction of...

Forecasting the unrevealed surface-controlled photocatalytic water splitting in two-dimensional Ag2Se with ultrafast carrier mobility: a first-principles study

“…These phenomena include the mutual conversion between the indirect band gap and the direct band gap, the expansion of the band gap and the matching of the band gap with the visible and near-infrared regions. [7][8][9][10] In this work, a methodical investigation into the geometric structure, electronic properties, photocatalytic performance and optical properties of the Ag 2 Se monolayer under biaxial strain were carried out using density functional theory (DFT) computations. The current study found that the band arrangement of the Ag 2 Se monolayer straddles the HER and OER, and these barriers could be adjusted with strain.…”

Strain-Induced SiP–PtS2 Heterostructure with Fast Carrier Transport for Boosted Photocatalytic Hydrogen Conversion

“…12,13 To rationally build a heterostructure for global solar water splitting, three fundamental rules must be considered: (i) the sun can be utilized advantageously, (ii) the band edges are properly oriented with respect to the redox potentials of water, and (iii) slower electron−hole pair recombination and subsequent separation of photogenerated carriers. Several 2D heterostructures 12,13 have been presented thus far as catalysts for photocatalytic water splitting. It remains difficult to create a suitable photocatalyst with high activity and stability for hydrogen production despite experimental and theoretical efforts to do so.…”

“…Several 2D heterostructures , have been presented thus far as catalysts for photocatalytic water splitting. It remains difficult to create a suitable photocatalyst with high activity and stability for hydrogen production despite experimental and theoretical efforts to do so.…”

“…Among these approaches, van der Waals (vdW) stacking of two distinct 2D materials has been found to exhibit significantly enhanced photocatalytic activity, well beyond the activities for the equivalent single components. 12,13 To rationally build a heterostructure for global solar water splitting, three fundamental rules must be considered: (i) the sun can be utilized advantageously, (ii) the band edges are properly oriented with respect to the redox potentials of water, and (iii) slower electron−hole pair recombination and subsequent separation of photogenerated carriers. Several 2D heterostructures 12,13 have been presented thus far as catalysts for photocatalytic water splitting.…”