Ultrahigh mechanical flexibility induced superior piezoelectricity of InSeBr-type 2D Janus materials

Abstract

InSeBr-type monolayers, the ternary In(Se,S)(Br,Cl) compounds, are typical two-dimensional (2D) Janus materials and can be exfoliated from their bulk crystals. The structural stability, electronic property, mechanical flexibility, and intrinsic piezoelectricity...

W4PCl11monolayer: an unexplored 2D material with moderate direct bandgap and strong visible-light absorption for highly efficient solar cells

“…5(c). The results indicate that W 4 PCl 11 monolayer can sustain the critical tensile strains of 13% and 15% in the x and y directions, respectively, which are comparable to those of MoS 2 (6–11% or 22.5%) 51,52 and α-boron (12% and 16%), 53 but still smaller than those of graphene (19.4% and 26.6%), 54 phosphorene (27% and 30%), 55 InSeBr (21% and 33%), 15 and Si 2 Te 3 (38%). 56 Thus, such critical tensile strains should be carefully considered in device applications for W 4 PCl 11 monolayer to avoid mechanical fatigue and damage.…”

“…5(c), we obtain two very small critical stresses of 1.9 and 1.5 N m −1 in the x and y directions, respectively. Such ideal strengths of W 4 PCl 11 monolayer are much lower than those of most reported 2D materials, such as α-boron (12.8 and 16 N m −1 ), 53 MoS 2 (15 N m −1 ), 52 and Si 2 Te 3 (8.63 N m −1 ), 56 phosphorene (4 and 10 N m −1 ), 55 BN (23.56 and 7.82 N m −1 ), 57 InSeBr (4.94 and 4.72 N m −1 ), 15 and g-ZnS (5.2 and 5 N m −1 ), 58 suggesting that W 4 PCl 11 monolayer is an extremely flexible 2D material and may have potential applications in the electronic and photoelectric devices with the flexibility requirements.…”

“…11,12 Thus, it is anticipated to explore the new 2D materials with moderate bandgap, high carrier mobility and good stability. Recently, the research in field of 2D functional materials is being expanded to the multiple-components compounds, including ternary and quaternary, [13][14][15][16][17][18] and the applications of 2D materials have extended to all corners of electronic and optoelectronic devices, such as energy storage, energy conversion, and solar cells. 2,19 Compared with traditional three-dimensional (3D) bulk materials, 2D materials have many natural advantages.…”

First-principles calculation of in-plane and out-of-plane piezoelectric properties of two-dimensional Janus MoSSiX2 (X = N, P, As) monolayers

“…The distinctive properties exhibited by two-dimensional (2D) materials have attracted substantial interest from researchers. Compared with bulk materials, 2D materials exhibit excellent mechanical strength, 10 flexibility, 11,12 and ultra-large specific surface area. 13,14 Among them, single-atomic-layer MoS 2 have been proven theoretically and experimentally to possess strong in-plane piezoelectricity.…”

Spin–orbit splitting and piezoelectric properties of Janus Ge2XY (X ≠ Y = P, As, Sb and Bi)

“…Since the Janus MoSSe and WSSe have been synthesized experimentally, 23,24 a large number of 2D Janus materials deriving from group VIB transition metal dichalcogenides and group III-VI metal chalcogenides are proposed and widely studied, such as Janus MXY (M = Mo and W; X a Y= S, Se, and Te), Janus PtX n Y 2Àn (X, Y = S, Se, Te; 0 r n r 2) and Janus M 2 XY (M = Ga and In; X a Y = S, Se and Te), 25,26 which exhibit many novel physical properties, including large Rashba spin splitting, 27,28 high carrier mobility and high storage capacity, 29 efficient photocatalytic water splitting 30 and enhanced in-plane and out-of-plane piezoelectric coefficients. [31][32][33] Inspired by these findings, researchers have begun to focus their attention to 2D Janus group IV-V compounds. Tug ˘bey Kocabaset al showed by using a high-throughput method that materials containing group V elements produce significantly high piezoelectric strain constants.…”