Two-Dimensional In₂X₂X′ (X and X′ = S, Se, and Te) Monolayers with an Intrinsic Electric Field for High-Performance Photocatalytic and Piezoelectric Applications

Abstract

Two-dimensional (2D) materials with excellent photocatalytic properties and unique piezoelectric response have attracted great attention. However, these characters are rare for traditional 2D structures. With an intrinsic electric field, the Janus 2D materials show great promise in photocatalytic and out-of-plane piezoelectric applications. Herein, we show that Janus In2X2X′ (X and X′ = S, Se, and Te) monolayers are desirable in the overall water splitting and piezoelectric devices. Comprehensive investigations reveal that the band gaps of these Janus monolayers are from 0.34 to 2.27 eV. With proper band edge positions, strong solar absorption, fast transfer and efficient separation of carriers, and high solar to hydrogen (STH) efficiencies (reaching 37.70%), eight members of them stand out. Besides, the electrons and holes have sufficient driving forces in the process of redox reaction. The piezoelectric response for in- and out-of-plane is superior for all monolayers. These compelling features make them suitable for photocatalysts, sensors, actuators, and energy conversion devices.

Mechanically Strong and Multifunctional Hybrid Hydrogels with Ultrahigh Electrical Conductivity

“…To the best of our knowledge, the conductivity of the sandwich‐structured hybrid hydrogels is the highest so far ever reported for conductive hydrogels (Figure 5f). [ 10,42–49 ]…”

Toward Stable and Efficient Perovskite Light‐Emitting Diodes

“…[ 16,25,124,125,135,136 ] Quantum‐confinement, by reducing the size of perovskite crystal domain in zero, one or more dimensions, is another effective approach for shifting the emission wavelengths toward the blue region. [ 17,51,122,129,130,132,134 ]…”

Novel Janus GaInX3 (X = S, Se, Te) single-layers: first-principles prediction on structural, electronic, and transport properties

“…Recently, the Janus structures of the group-III trichalcogenide single-layers have begun to be studied. 14,15 The Janus In 2 X 2 Y (X/Y = S, Se, Te) single-layers were confirmed to be strong solar absorption and superior out-of-plane and in-plane piezoelectric response. 14 Particularly, the electron mobility and solar-to-hydrogen efficiency of the Janus In 2 X 2 Y can be higher than that in In 2 X 3 single-layers.…”

“… 14,15 The Janus In 2 X 2 Y (X/Y = S, Se, Te) single-layers were confirmed to be strong solar absorption and superior out-of-plane and in-plane piezoelectric response. 14 Particularly, the electron mobility and solar-to-hydrogen efficiency of the Janus In 2 X 2 Y can be higher than that in In 2 X 3 single-layers. 7,14 Excited by the successful synthesis of the group-III trichalcogenide nanosheets and the great recent achievements in theoretical studies on Janus group-III trichalcogenide single-layers, we here investigate the structural, electronic, and transport properties of novel Janus GaInX 3 (X = S, Se, Te) single-layer using the density functional theory (DFT).…”