In order to research the influence of boron doping on hydrogen storage capacity of Sc 3-(C 6
H 6) 2, we systematically studied the hydrogen storage behavior of sandwich material …

Transition-metal (TM) atoms are known to form TM-H 2 complexes, which are collectively
called Kubas dihydrogen complexes. The TM-H 2 complexes are formed through the …

This report aims to explore the possibility of using graphyne derivatives as UV‐light
protector. Boron (B) and nitrogen (N) atoms are systematically substituted into the structures …

First principle calculations with generalized gradient approximation were carried out to
analyse the electronic and optical properties of armchair and zigzag graphyne nanotubes …

The hydrogen adsorption and storage properties of B x M 2 (M= Y-Mo, Rusingle bondAg, x=
5–8) have been researched in detail. In B 5 M 2 systems, most of compounds can adsorb …

This review summarizes the progress in organo-f-element chemistry during the year 2011. A
continuing trend in organolanthanide research is a strong emphasis on applications of …

The adsorption of CO2 gas molecule on the armchair (4, 4) aluminum nitride (AlN), boron
nitride (BN) and silicon carbide (SiC) nanotubes are investigated using DFT calculations …

The hydrogen storage capacities of π complex (Ti–η 2-(C 2 H 2)) and the corresponding
ethynyl metal hydrides (HCtriple bondC–TiH) complex were tested using second order …

The hydrogen storage capacities of synthesized Scandium–Acetylene systems (Sc–η 2–(C 2
H 2) and HCtriple bondC–ScH) are tested by using density functional theory (DFT) and the …

Hydrogen storage capacity of Ce-ethylene complex is studied at MP2/SDD level. We have
suggested suitable temperature and pressure range over which H 2 adsorption on this …