Effect of temperature on structural, dynamical, and electronic properties of ScTe from first-principles calculations.

The compounds ScTe and SbTe have the same crystal structure. Ge-Sb-Te alloys are also the most common prototype phase change memory (PCM) compounds in the GeTe-SbTe pseudo-binary combination. Recently, alloying Sc atoms into SbTe has enabled sub-nanosecond switching in large conventional phase-change random access memory (PCRAM) devices.

DFT investigation of the electronic and optical properties of hexagonal MX/ZrXO (M = W, Mo and X = S, Se) van der Waals heterostructures for photovoltaic solar cell application.

The van der Waals heterostructure of Janus materials with a TMD monolayer was used to create a two-dimensional class of nanomaterials for photovoltaic solar cell applications. It is one of the potential methods for enhancing the performance of photovoltaic systems. Two monolayers of different 2D materials, Janus (ZrXO) and TMDs (MX), are stacked together to form the heterojunction.

Janus transition metal dichalcogenides in combination with MoS for high-efficiency photovoltaic applications: a DFT study.

Exotic features of two-dimensional materials have been demonstrated, making them particularly appealing for both photocatalytic and photovoltaic applications. van der Waals corrected density functional theory calculations were performed on AAII-Se MoSSe, AAII-Te MoSTe, and AAII-Se WSSe heterostructures in this study. Our findings reveal that the heterostructures have high stability due to the tiny lattice mismatch and binding energy, which is extremely favorable for epitaxial growth of these heterostructures.

A novel WS2 nanowire-nanoflake hybrid material synthesized from WO3 nanowires in sulfur vapor.

In this work, WS2 nanowire-nanoflake hybrids are synthesized by the sulfurization of hydrothermally grown WO3 nanowires. The influence of temperature on the formation of products is optimized to grow WS2 nanowires covered with nanoflakes. Current-voltage and resistance-temperature measurements carried out on random networks of the nanostructures show nonlinear characteristics and negative temperature coefficient of resistance indicating that the hybrids are of semiconducting nature.