Exploring Anisotropic Carrier Transport in WSe-WTe Superlattices: A Computational Study.

Superlattice structures offer distinct benefits in modern semiconductor technology, enabling the development of a deeper understanding of their sublayer arising from the interfaces. However, the advancement of large-scale applications encounters additional concerns, such as the stability and performance of the superlattice. In this study, we employ density functional theory calculations combined with the Boltzmann transport theory to comprehensively analyze the electronic structural and transport properties of the hexagonal phase of WSe and the WSe-WTe superlattice for their applications in carrier transport fields.

Computational approach to enhance thermoelectric performance of AgSe by S and Te substitutions.

Designing an n-type thermoelectric material with a high thermoelectric figure of merit at near room temperature is extremely challenging. Generally, pristine AgSe reveals unusually low thermal conductivity along with a high electrical conductivity and Seebeck coefficient, which leads to high thermoelectric performance (n-type) at room temperature. Herein, we report a pseudo-ternary phase (AgSeTeS) that exhibits significantly high thermoelectric performance ( ∼ 2.

Modulating the Carrier Relaxation Dynamics in Heterovalently (Bi) Doped CsPbBr Nanocrystals.

Manipulation of intrinsic carrier relaxation is crucial for designing efficient lead halide perovskite nanocrystal (NC) based optoelectronic devices. The influence of heterovalent Bi doping on the ultrafast carrier dynamics and hot carrier (HC) cooling relaxation of CsPbBr NCs has been studied using femtosecond transient absorption spectroscopy and first-principles calculations. The initial HC temperature and LO phonon decay time point to a faster HC relaxation rate in the Bi-doped CsPbBr NCs.

Elusive CoO: A Combined Experimental and Theoretical Study.

Despite several oxides with trivalent cobalt ions are known, the sesquioxide MO with Co ions remains elusive. Our attempts to prepare CoO have failed. However, 50% of Co ions could be substituted for Ln ions in LnO (Ln = Y and Lu) with a cubic bixbyite structure where the Co ions are in the intermediate-spin state.