Group-IV(A) Janus dichalcogenide monolayers and their interfaces straddle gigantic shear and in-plane piezoelectricity

Abstract

Inversion symmetry in 1T-phase of pristine dichalcogenide monolayer MX2 (M = Ge, Sn; X = S, Se) is broken in their Janus structures, MXY (M = Ge, Sn; X ≠...

Computational insights into structural, electronic, and optical properties of Janus GeSO monolayer

“…Our calculated results are good in agreement with the available data (0.73/ 1.51 eV at the PBE/HSE06 level), which were very recently reported by Nandi and co-workers. 31 This conrms that our computational method for electronic properties is valid. The calculated band structures of GeS 2 , GeO 2 , and GeSO monolayers are depicted in Fig.…”

Theoretical prediction of structural, mechanical, and electronic properties of Janus GeSnX2 (X = S, Se, Te) single-layers

“…A series of Janus based on 2D structures have been investigated, from Janus dichalcogenides 27,28 to Janus monochalcogenides. 29–32 Along with that trend, Janus group IV chalcogenides, such as Ge 2 SSe, Sn 2 SeTe 33 or GeSSe and SnSSe 34 has also been studied very recently. It was found that many new physical properties were found in Janus structures due to the breaking of the mirror symmetry structure.…”

“…It was found that many new physical properties were found in Janus structures due to the breaking of the mirror symmetry structure. 30,34 In addition, the vertical asymmetry in the Janus structure also gave rise to an intrinsic built-in electric eld, which leads to difference in the vacuum levels between the two sides of the Janus monolayers. 31,35 In this study, we deal with the structural, mechanical, and electronic properties of Janus GeSnX 2 (X ¼ S, Se, Te) single-layers by mean of density functional theory (DFT).…”

Bridge role of weak chemical bonding in photocatalytic performance of asymmetric 2H-MoS2/BiOCl Janus heterostructure

“…There has been a large number of previous research on electrons and various excellent properties in 2D Janus materials [13][14][15][16][17][18][19][20][21][22][23]. Electric field and strain are considered as two effective ways to realize versatile physical properties in Janus XSn 2 Y monolayers [13].…”