Theoretical prediction of electronic, transport, optical, and thermoelectric properties of Janus monolayers ()
The breaking of the vertical symmetry in Janus monochalcogenides gave rise to many
properties that were not present in the original monochalcogenide monolayers. However …
properties that were not present in the original monochalcogenide monolayers. However …
Group-IV (A) Janus dichalcogenide monolayers and their interfaces straddle gigantic shear and in-plane piezoelectricity
Inversion symmetry in the 1T-phase of pristine dichalcogenide monolayer MX2 (M= Ge, Sn;
X= S, Se) is broken in their Janus structures, MXY (M= Ge, Sn; X≠ Y= S, Se), which induces …
X= S, Se) is broken in their Janus structures, MXY (M= Ge, Sn; X≠ Y= S, Se), which induces …
Janus monolayer PtSSe under external electric field and strain: a first principles study on electronic structure and optical properties
The effect of biaxial strains ε b and electric field E on the electronic structure and optical
properties of Janus monolayer PtSSe was studied by Density Functional Theory (DFT). A …
properties of Janus monolayer PtSSe was studied by Density Functional Theory (DFT). A …
Hydrogenation-induced interfacial bonding effects on the structural, electronic, and optical properties of GaN bilayer
H Shu - Vacuum, 2023 - Elsevier
Employing first-principles calculations, effects of hydrogenation on the structural, electronic,
and optical properties of AB-stacked GaN bilayer are explored systematically …
and optical properties of AB-stacked GaN bilayer are explored systematically …
Stacking pattern induced high ZTs in monolayer SnSSe and bilayer SnXY (X/Y= S, Se) materials with strong anharmonic phonon scattering
Abstract Two-dimensional (2D) Sn-based Janus materials have attracted enormous
attention on account of the inexpensive, earth-abundant, and eco-friendly merits. Whereas …
attention on account of the inexpensive, earth-abundant, and eco-friendly merits. Whereas …
A bifunctional GeC/SnSSe heterostructure for highly efficient photocatalysts and photovoltaic devices
X Jiang, W Xie, X Xu, Q Gao, D Li, B Cui, D Liu, F Qu - Nanoscale, 2022 - pubs.rsc.org
Alongside highly efficient photocatalysts, high photovoltaic performance is also a key
element for efficiently harvesting solar energy. Developing bifunctional materials which …
element for efficiently harvesting solar energy. Developing bifunctional materials which …
Design of a noble-metal-free direct Z-scheme photocatalyst for overall water splitting based on a SnC/SnSSe van der Waals heterostructure
X Jiang, Q Gao, X Xu, G Xu, D Li, B Cui… - Physical Chemistry …, 2021 - pubs.rsc.org
Semiconductor photocatalysts, using sunlight to stimulate various photocatalytic reactions,
are promising materials for solving the energy crisis and environmental problems. However …
are promising materials for solving the energy crisis and environmental problems. However …
Improving thermoelectric performance of asymmetrical Janus 1T-SnSSe monolayer by the synergistic effect of band convergence and crystal lattice softening under …
Recently, the 1T-SnSSe monolayer has attracted increasing attention in the thermoelectric
community on account of its low-cost and environmental friendliness. In this paper, the …
community on account of its low-cost and environmental friendliness. In this paper, the …
Anisotropic Rashba splitting in Pt-based janus monolayers PtXY (X, Y= S, Se, or Te)
Recent studies have demonstrated the feasibility of synthesizing two-dimensional (2D)
Janus materials which possess intrinsic structural asymmetry. Hence, we performed a …
Janus materials which possess intrinsic structural asymmetry. Hence, we performed a …
Rashba-type spin splitting and transport properties of novel Janus XWGeN 2 (X= O, S, Se, Te) monolayers
We discuss and examine the stability, electronic properties, and transport characteristics of
asymmetric monolayers XWGeN2 (X= O, S, Se, Te) using ab initio density functional theory …
asymmetric monolayers XWGeN2 (X= O, S, Se, Te) using ab initio density functional theory …