Silicene, a silicon analogue of graphene, has attracted increasing attention during the past
few years. As early as in 1994, the possibility of stage corrugation in the Si analogs of …

Although graphene is by far the most famous example of two-dimensional (2D) materials,
which exhibits a wealth of exotic and intriguing properties, it suffers from a severe drawback …

Due to their unique properties, a lot of two-dimensional (2D) materials have been predicted
and produced in the past decades. Furthermore, 2D materials have exhibited great …

During the last decade, there has been considerable interest of researchers towards the use
of two-dimensional (2D) materials for the electronic device implementations. The main …

To harvest and reuse low-temperature waste heat, we propose and realize an emergent
concept—barocaloric thermal batteries based on the large inverse barocaloric effect of …

Although organic–inorganic hybrid perovskites have been extensively investigated for
promising applications in energy-related devices, their mechanical properties, which restrict …

Recent advancements in the field of two-dimensional (2D) materials have led to the
discovery of a wide range of 2D materials with intriguing properties. Atomistic-scale …

Using density functional theory calculations, we determine the band structure and DOS of
graphene and silicene supercell models. We also study the adsorption mechanism of Li …

Graphene and some graphene like two dimensional materials; hexagonal boron nitride
(hBN) and silicene have unique mechanical properties which severely limit the suitability of …

In this work, we performed first principles calculations based on self-consistent charge
density functional tight-binding to investigate different mechanisms of band gap tuning of …