With the aggravation of environmental pollution and the energy crisis, it is particularly
important to develop and design environment-friendly and efficient spontaneous enhanced …

The outstanding structural, electronic, and optical properties of inorganic perovskite
materials have gained significant attention in the field of solar technology in recent times …

Inorganic perovskite materials have drawn great attention in the realm of solar technology
because of their remarkable structural, electronic, and optical properties. Herein, we …

Janus structure as novel two-dimensional materials has received great interest owing to
their novel properties. By using first-principles calculations, we investigated the electronic …

In recent years, the energy crisis and global warming have been urgent problems that need
to be solved. As is known, thermoelectric (TE) materials can transfer heat energy to electrical …

Computational methods are infallible in predicting the ground state and numerous other
properties of materials. There have been copious efforts to design high spin-polarized …

Calculating the thermal conductivity of heterostructures with multiple layers presents a
significant challenge for state-of-the-art ab initio methods. In this study we introduce an …

We report mechanical, optical and thermoelectric properties of recently fabricated Janus
BiTeCl monolayer using density functional and semi-classical Boltzmann transport theory …

The photovoltaic sector is showing a lot of interest in perovskite solar cells. Solar cells
constructed from inorganic perovskite materials are currently gaining a lot of attention due to …

The electronic, optical and thermoelectric properties of the Ge 2 SeS monolayer were
detailed using the first-principle calculations. The dynamic stability of the Ge 2 SeS structure …