In this work, the potential of monohydrate Lithium hydroxide (LiOH) as a high capacity
adsorbent for CO2 capture was investigated experimentally and theoretically. The effects of …

We describe a novel strategy for stabilizing the long-elusive, condensed-state materials
consisting of sp carbon chains. High-level ab initio calculations indicate that covalent …

The main contribution of this paper is to study the spin caloritronic effects in defected
graphene/silicene nanoribbon (GSNR) junctions. Each step-like GSNR is subjected to the …

In this study, based on density functional theory, we propose a new branch of pseudo-
fullerenes which contain triple bonds with sp hybridization. We call these new …

In this paper, we study the structural, electronic, and quantum transport properties in the
smallest fullerene, C 20, and the most famous fullerene, C 60, and their corresponding …

The spin-dependent Seebeck effect (SDSE) and thermal spin-filtering effect (SFE) are now
considered as the essential aspects of the spin caloritronics, which can efficiently explore …

In a previous work, we introduced a new family of carbon cages, called fullerynes. Besides,
we studied their stability by examining the vibrations of the infrared spectrum. But in this …

In this paper, we introduce new features of silicon in fullerane structures. Silicon, when
placed in a fullerane structure, increases its electron affinity and electrophilicity index …

The shortcomings of mono-component systems eg the gapless nature of graphene, the lack
of air-stability in phosphorene, etc, have drawn great attention toward stacked materials that …

6.40 3.68 0.73 1.36-5.04 2.72-3.68-6.40 C60 5.51 3.61 1.06 0.95-4.56 1.89-3.61-5.51 C20
6.44 0.66 0.35 2.89-3.55 5.78-0.66-6.44 C60H60 7.24 0.19 0.28 3.52-3.72 7.04-0.19-7.24 …