The excellent thermoelectric performance of the SiSe 2 monolayer and layered bulk is
identified by employing the density functional theory and the semi-classical Boltzmann …

In this work, based on first-principles calculations, we theoretically predict two kinds of two-
dimensional tetragonal Si–Se compounds, Si2Se2 and SiSe2, as the anode materials for …

Here, we have studied the electronic transport and optical properties of recently predicted
SiSe 2 homo-bilayer considering two stacking sequences. To confirm its dynamical stability …

Abstract Two-dimensional (2D) heterostructures are effective devices for converting solar
energy into electrical energy. However, the highly efficient ones are difficult to screen. Here …

In this paper, the first‐principles calculations based on the Density Functional Theory (DFT)
have been used to study the effect of strain on the structural, electronic, optical and …

For high-efficiency thermoelectric power conversion, not only improvement of existing
materials properties but also prediction and synthesis of new thermoelectric materials are …

Two-dimensional (2D) materials with negative Poisson's ratios (NPRs) hold tremendous
potential in diverse electronic devices. However, most 2D auxetic materials exhibit small out …

Low dimensional materials especially one-dimensional (1D) systems demonstrate uniquely
electrical, optical, mechanical properties and promising applications in nanometer even sub …

The gate-all-around (GAA) field-effect transistor (FET) holds great potential to support next-
generation integrated circuits. Nanowires such as carbon nanotubes (CNTs) are one …

In this work, we suggest SiS2 and SiSe2 as anode materials for sodium-ion batteries based
on a first-principles prediction. Both SiS2 and SiSe2 have suitable adsorption energies …