A first principles study on the stability and electronic and optical properties of 2D SbXY (X = Se/Te and Y = I/Br) Janus layers.

Motivated by the exceptional optoelectronic properties of 2D Janus layers (JLs), we explore the properties of group Va antimony-based JLs SbXY (X = Se/Te and Y = I/Br). Using Bader charges, the electric dipole moment in the out-of-plane direction of all the JLs is studied and the largest dipole moment is found to be in the SbSeI JL. Our results on the formation energy, phonon spectra, elastic constants, and molecular dynamics (AIMD) simulation provide insights into the energetic, vibrational, mechanical, and thermal stability of JLs.

Band alignment in CdS-α-Te van der Waals heterostructures for photocatalytic applications: influence of biaxial strain and electric field.

We present a comprehensive theoretical analysis of the structural and electronic properties of a van der Waals heterostructure composed of CdS and α-Te single layers (SLs). The investigation includes an in-depth study of fundamental structural, electronic, and optical properties with a focus on their implications for photocatalytic applications. The findings reveal that the α-Te SL significantly influences the electronic properties of the heterostructure.

Scalable Atomic Arrays for Spin-Based Quantum Computers in Silicon.

Semiconductor spin qubits combine excellent quantum performance with the prospect of manufacturing quantum devices using industry-standard metal-oxide-semiconductor (MOS) processes. This applies also to ion-implanted donor spins, which further afford exceptional coherence times and large Hilbert space dimension in their nuclear spin. Here multiple strategies are demonstrated and integrated to manufacture scale-up donor-based quantum computers.

Influence of Season on Biodegradation Rates in Rivers.

Biodegradation plays a key role in the fate of chemicals in the environment. The variability of biodegradation in time can cause uncertainty in evaluating the environmental persistence and risk of chemicals. However, the seasonality of biodegradation in rivers has not yet been the subject of environmentally relevant testing and systematic investigation for large numbers of chemicals.