SiAs2/GeP2 heterostructure for solar cell: A first-principles calculation

Germanium‐based monoelemental and binary two‐dimensional materials: Theoretical and experimental investigations and promising applications

“…This may provide ideas for the synthesis of GeP 2 . Nevertheless, for 2D GeN 2 , GeSb 2 , and GeBi 2 , no experimental work has been reported thus far, and since their structures and potential properties have been preliminarily predicted by first‐principles calculations, 229–231 in‐depth property exploration and material synthesis are urgently required.…”

“…Reproduced with permission. 225 Copyright 2019, Elsevier calculations, [229][230][231] in-depth property exploration and material synthesis are urgently required.…”

“…Under fluorescent tube light and LED illumination, the PCEs were 3.6% and 3.3%, respectively. In addition, GeC 163,527 and GeP 2 231 were also demonstrated to be good candidates for solar cells through first-principles calculations. These studies provide new ideas for the development of high efficiency solar cells with good performance.…”

Two-Dimensional Direct Semiconductor Boron Monochalcogenide γ-BTe: Room-Temperature Single-Bound Exciton and Novel Donor Material in Excitonic Solar Cells

“…Figure 7d shows the PCE contour, and the practical upper limit of PCE for the heterobilayers of γ-BTe/GeP 2 can reach up to 21.76% which is especially highlighted as a blue star. Note that the obtained η of our proposed type-II heterostructure are comparable to that of typical heterobilayers, such as MoS 2 /bilayer phosphorene (18%), 58 g-SiC 2 / ZnO (20%), 11 different edge-modified phosphorene nanoribbons (20%), 57 HfTeSe 4 /Bi 2 WO 6 heterostructure (20.8%), 47 KAgSe/Ca(OH) 2 (21.5%), 56 α-AsP/GaN (22.1%), 7 and much higher than SiAs 2 /GeP 2 heterostructure (12.1%), 62 Dion− Jacobson perovskite (15.75%) 63 and CsPb 0.995 Nb 0.005 I 2 Br perovskite (16.45%) 64 solar cells, as shown in Figure 8. In addition, strain engineering can tune the electronic structures of monolayer γ-BTe and then can adjust the value of PCE in the fabricated γ-BTe/GeP 2 heterojunction, as shown in Tables S3−S5.…”

Enhancement in photocatalytic water splitting using van der Waals heterostructure materials based on penta-layers

“…29,30,32,33,44,45 Recently, numerous researchers have investigated heterostructures based on a combination of individual pentagonal monolayers and reported fascinating properties for future applications. [46][47][48][49][50] For example, Wang et al 46 found that the KAgSe/SiC 2 heterojunction exhibits a type-III band alignment that can be modified by a transition from type-III to type-I/II band alignment under external electric field. Zhang et al 47 demonstrated that the SiAs 2 /GeP 2 heterojunction exhibits a type-II band alignment with a desirable power conversion efficiency of up to 12.1%, indicating good properties for solar energy conversion in photovoltaic applications.…”