Titanium Trisulfide Monolayer: Theoretical Prediction of a New Direct-Gap Semiconductor with High and Anisotropic Carrier Mobility

A new two-dimensional (2D) layered material, namely, titanium trisulfide (TiS3) monolayer, is predicted to possess novel electronic properties. Ab initio calculations show that the perfect TiS3 monolayer is a direct-gap semiconductor with a bandgap of 1.02 eV, close to that of bulk silicon, and with high carrier mobility. More remarkably, the in-plane electron mobility of the 2D TiS3 is highly anisotropic, amounting to about 10,000 cm2 V−1 s−1 in the b direction, which is higher than that of the MoS2 monolayer, whereas the hole mobility is about two orders of magnitude lower. Furthermore, TiS3 possesses lower cleavage energy than graphite, suggesting easy exfoliation for TiS3. Both dynamical and thermal stability of the TiS3 monolayer is examined by phonon-spectrum calculation and Born–Oppenheimer molecular dynamics simulation. The desired electronic properties render the TiS3 monolayer a promising 2D atomic-layer material for applications in future nanoelectronics. Includes Supplemental Materials (Fig. S1

Observations of a Failed Solar Filament Eruption Involving External Reconnection

We report a failed solar filament eruption that involves external magnetic reconnection in a quadrupolar magnetic configuration. The evolution exhibits three kinematic evolution phases: a slow-rise phase, an acceleration phase, and a deceleration phase. In the early slow rise, extreme-ultraviolet (EUV) brightenings appear at the expected null point above the filament and are connected to the outer polarities by the hot loops, indicating the occurrence of a breakout reconnection. Subsequently, the filament is accelerated outward, accompanied by the formation of low-lying high-temperature post-flare loops ($>$ 15 MK), complying with the standard flare model. However, after 2--3 minutes, the erupting filament starts to decelerate and is finally confined in the corona. The important finding is that the confinement is closely related to an external reconnection as evidenced by the formation of high-lying large-scale hot loops ($>$ 10 MK) with their brightened footpoints at the outer polarities, the filament fragmentation and subsequent falling along the newly formed large-scale loops, as well as a hard X-ray source close to one of the outer footpoint brightenings. We propose that, even though the initial breakout reconnection and subsequent flare reconnection commence and accelerate the filament eruption, the following external reconnection between the erupting flux rope and overlying field, as driven by the upward filament eruption, makes the eruption finally failed, as validated by the numerical simulation of a failed flux rope eruption.Comment: Accepted by Ap

Simulation Evidence of Hexagonal-to-Tetragonal ZnSe Structure Transition: A Monolayer Material with a Wide-Range Tunable Direct Bandgap

2D material with tunable direct bandgap in the intermediate region (i.e., ≈2–3 eV) is key to the achievement of high efficiency in visible-light optical devices. Herein, a simulation evidence of structure transition of monolayer ZnSe from the experimental pseudohexagonal structure to the tetragonal structure (t-ZnSe) under lateral pressure is shown, suggesting a possible fabrication route to achieve the t-ZnSe monolayer. The as-produced t-ZnSe monolayer exhibits highly tunable bandgap under the biaxial strains, allowing strain engineering of t-ZnSe’s bandgap over a wide range of 2–3 eV. Importantly, even under the biaxial strain up to 7%, the t-ZnSe monolayer still keeps its direct-gap property in the desirable range of 2.40–3.17 eV (corresponding to wavelength of green light to ultraviolet). The wide-range tunability of direct bandgap appears to be a unique property of the t-ZnSe monolayer, suggesting its potential application as a light-emitting 2D material in red–green–blue light emission diodes or as complementary light-absorption material in the blue–yellow region for multijunction solar cells. The straddling of the band edge of the t-ZnSe monolayer over the redox potential of water splitting reaction also points to its plausible application for visible- light-driven water splitting