High solar-to-hydrogen efficiency in Arsenene/GaX (X = S, Se) van der Waals heterostructure for photocatalytic water splitting

First-Principles Study of Electronic and Optical Properties of Two-Dimensional WSSe/BSe van der Waals Heterostructure with High Solar-to-Hydrogen Efficiency

“…5, of about 44.9 %, which is higher than that for other 2D heterostructures, such as PtS2/arsenene [59], arsenene/GaS and arsenene/GaSe [22]. In addition, the WSSe/BSe vdW heterostructure also possesses decent solar-to-hydrogen efficiency, of about 21.4% and 25.4% at pH 0-3 and pH 6-8, respectively.…”

“…We calculated the η STH of the WSSe/BSe vdW heterostructure at different pH values, as shown in Figure 7a. The WSSe/BSe vdW heterostructure possesses a novel solar-to-hydrogen efficiency at pH 4 or 5, of about 44.9%, which is higher than that for other 2D heterostructures, such as PtS 2 /arsenene [59], arsenene/GaS and arsenene/GaSe [22]. In addition, the WSSe/BSe vdW heterostructure also possesses decent solar-to-hydrogen efficiency, of about 21.4% and 25.4% at pH 0-3 and pH 6-8, respectively.…”

“…In addition, instead of a covalent bond [18], forming a 2D van der Waals (vdW) heterostructure is a common method to improve the properties of layered materials [19][20][21]. These weak vdW forces combine two different layered materials, which keep the heterostructure energetically stable [22,23]. The interface of a 2D heterostructure can create many interesting properties which enhance the electronic, optical and photocatalytic abilities [24][25][26].…”

Electronic and optical properties of two-dimensional heterostructures based on Janus XSSe (X = Mo, W) and Mg(OH)2: a first principles investigation

“…26 All these excellent properties of 2D materials show the promising applications for further nano-devices. [27][28][29][30][31] In order to expand the application of these layered materials, more interesting properties were developed by the prediction of 2D materials. [32][33][34][35][36] For example, d-phosphorene was proposed to be an auxetic material with a high negative Poisson's ratio (NPR) of about À0.267 along relative direction.…”

Electronic and Optical Properties of Atomic-Scale Heterostructure Based on MXene and MN (M = Al, Ga): A DFT Investigation

“…In order to expand the application of 2D materials and build more special performances, superposing different layered materials to construct a heterostructure is usually realized [37][38][39][40][41][42][43]. Especially, two-layer materials construct a heterostructure by van der Waals (vdW) forces, which can induce novel interfacial [44], optical [45] and electronic properties [46]. The SiC/TMDs vdW can be used as a water decomposition catalyst to completely separate hydrogen and oxygen under the condition of light [47].…”