MoS₂and Janus (MoSSe) based 2D van der Waals heterostructures: emerging direct Z-scheme photocatalysts

Abstract

Two-dimensional (2D) materials viz. transition metal dichalcogenides (TMD) and transition metal oxides (TMO) offer a platform that allows creation of heterostructures with a variety of properties. The optoelectronic industry has...

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

“…The calculated DE band bending values are less than 0, suggesting electron transfer from the heterostructure to the monolayer. 93 We observed that DE band bending of the GeI 2 monolayer was more negative compared to that of the C 2 N. Therefore, the net Lo ¨wdin population charge on the GeI 2 monolayer is positive, consistent with the CDD and work function results. Another critical element in constructing photocatalytic devices is optical absorption.…”

Recent progress on van der Waals heterojunctions applied in photocatalysis

“…[49][50][51] Furthermore, graphene is considered as one of the key components of many vdWHs due to its high carrier mobility of 2 Â 10 5 cm V À1 s À1 , the good thermal conductivity of 5.5 Â 10 3 W m À1 K À1 and adjustable work function. 52,53 Nowadays, other graphene-like materials have also been developed, such as molybdenum disulde (MoS 2 ), 54,55 molybdenum diselenide (MoSe 2 ), 56,57 tin selenide (SnSe), [58][59][60] bismuth telluride (Bi 2 Te 3 ), 61 tungsten diselenide (WSe 2 ), 62 black phosphene (BP) 63,64 and hexagonal boron nitride (HBN). 65 The atoms in each layer (in-plane) of these vdW materials are held together by covalent bonds, while the atomic layers (out-of-plane) without hanging bonds are held together by weak vdW interactions.…”

“…Nowadays, other graphene-like materials have also been developed, such as molybdenum disulfide (MoS 2 ), 54,55 molybdenum diselenide (MoSe 2 ), 56,57 tin selenide (SnSe), 58–60 bismuth telluride (Bi 2 Te 3 ), 61 tungsten diselenide (WSe 2 ), 62 black phosphene (BP) 63,64 and hexagonal boron nitride (HBN). 65 The atoms in each layer (in-plane) of these vdW materials are held together by covalent bonds, while the atomic layers (out-of-plane) without hanging bonds are held together by weak vdW interactions.…”

Unveiling the layer-dependent electronic properties in transition-metal dichalcogenide heterostructures assisted by machine learning

“…[16][17][18][19] While for other materials whose bandgaps are in the range of 1.8-2.8 eV, they may be possibly applied in the field of photocatalytic reaction under visible light. [20][21][22] Besides bandgap, band alignment is another important characteristic that determines the material application. [23][24][25][26] For instance, in the fields of photovoltaics and photocatalysis, heterojunctions with the type-II band alignment are preferred since the recombination rates for electrons and holes are relatively slow.…”