Various technologies have been developed for the safe and efficient storage of hydrogen.
Hydrogen storage in its solid form is an attractive option to overcome challenges such as …

Energy production, distribution, and storage remain paramount to a variety of applications
that reflect on our daily lives, from renewable energy systems, to electric vehicles and …

This density functional theory investigation aims to assess the hydrogen adsorption potential
of bare and metal catalysts (Ni, Pd, and Cd) decorated Al 12 P 12, B 12 P 12, and C 24 …

In this study, for the bioavailability and distribution of the drug on the tumor cells we have
chosen targeted drug delivery system and for the delivery system, pristine, defected, and …

Defect engineering of pristine materials which already possess native adsorption capacity
for aqueous organic and inorganic chemical species is a novel and exciting new area of …

Modifying the structures and doping are proven to be effective methods to tune the structural
and electrical properties of gC 3 N 4 quantum dots. Hence, in this study, tri-s-triazine and tri …

The hydrogen storage properties of the 2D carbon allotrope Irida-graphene (IG) were
investigated using first-principles calculation. The intrinsic IG adsorption energy for H2 is …

Energy production, distribution, and storage remain paramount to a variety of applications
that reflect on our daily lives, from renewable energy systems, to electric vehicles and …

Graphene, as a two-dimensional (2D) carbon material, has been a research focus in the
field of sensors since its discovery owing to its physical and chemical properties. However …

在B3LPY∕ 6-31g (d, p) 水平上计算了Al 7 C 以及Na 原子修饰Al 7 C 团簇的结构并进行了自然
键轨道和稳定性分析. 最后计算了氢分子在Al 7 CNa 团簇上的吸附, 结果表明Na …