Two Janus Ga₂STe monolayers and their electronic, optical, and photocatalytic properties

Abstract

Recently, two-dimensional Janus materials have attracted increasing interest due to their unique structure and novel properties. Based on density-functional and many-body perturbation theories (i.e. DFT+G0W0+BSE methods), electronic, optical, and photocatalytic...

Predicted XN (X = C, Si, Ge, and Sn) Monolayers with Ultrahigh Carrier Mobility: Potential Photocatalysts for Water Splitting

“…For example, 2D transition metal dichalcogenides (TMDs) possess desirable band gaps from 1.30 to 2.05 eV at HSE level, which have been prepared by chemical vapor deposition method and used as transistors and optoelectronic devices . Janus structure of the TMDs is also suggested to have excellent thermal properties due to the broken symmetry. , For black phosphorene, it shows anisotropic thermal conductivities of about 20 and 40 W·m –1 ·K –1 along armchair and zigzag directions, respectively, which is attributed to the suppressed long mean-free-path acoustic phonons induced by surface scattering. In fact, these 2D semiconductors have also been deeply explored for catalytic, , thermoelectric, , and photovoltaic devices. , …”

“…8 Janus structure of the TMDs is also suggested to have excellent thermal properties due to the broken symmetry. 9,10 For black phosphorene, it shows anisotropic thermal conductivities of about 20 and 40 W•m −1 •K −1 along armchair and zigzag directions, respectively, which is attributed to the suppressed long mean-free-path acoustic phonons induced by surface scattering. In fact, these 2D semiconductors have also been deeply explored for catalytic, 11,12 thermoelectric, 5,13 and photovoltaic devices.…”

Symmetry-breaking-induced ferroelectric HfSnX3 monolayers and their tunable Janus structures: promising candidates for photocatalysts and nanoelectronics

“…22 The Δ Φ of FP HfSnX 3 monolayers is much larger than that of most other 2D materials. 44–47 Such a large Δ Φ is not only conducive to the separation of carriers in the photocatalytic process, but can also greatly affect the oxidation reduction potential of water. Then, the band arrangements versus redox potentials of water at different pH values of FP HfSnX 3 monolayers are performed in Fig.…”

Electronic and optical properties of Janus Ga2STe bilayer: a promising candidate for excitonic solar cell

“…19,20 In particular, MoSSe and WSSe Janus monolayers have been prepared successfully, 21,22 which further motivates theoretical research on M 2 XY (M = Ga, In; X, Y = S, Se, Te) Janus monolayers. 23–27 The M 2 XY Janus monolayers were previously reported to be semiconducting materials that possess wide bandgaps of 2.03 to 0.89 eV 24 and were thought to be useful for application in optoelectronics. Also, the M 2 STe and M 2 SeTe (M = Ga, In) Janus monolayers are proven to have a direct-gap nature.…”