Si-decorated graphene: A promising media for molecular hydrogen storage

Role of interlayer spacing and functional group on the hydrogen storage properties of graphene oxide and reduced graphene oxide

“…This theoretical approach experimentally proved by Stefan et al and reported that titanium-functionalized graphene is a very interesting and suitable material for practical applications in hydrogen storage [27]. Similarly, one of the research groups has been demonstrated theoretically high hydrogen storage capacity of about 15 wt.% for Si decorated graphene [28]. Recently Jiaguo Yu et al reported the graphene-based photo catalytic composite as an interesting and viable alternate for photo catalytic H 2 production [29,30].…”

Ti-decorated graphitic-C3N4 monolayer: A promising material for hydrogen storage

“…For the first adsorbed H 2 molecule, the adsorption energy, E a (H 2 ), was −0.34 eV and its H H bond length increases to 0.90 Å compared with the original bond length of 0.75 Å. The elongation of the H H bond can be explained by the charge polarization mechanism [5,8,11]. The charge transfer from Ti atom to nearby N1 atoms in the g-C 3 N 4 induces an electric field around the positive charged Ti.…”

“…For instance, M.D. Ganji et al developed Si-decorated graphene with its hydrogen storage capacity of about 15 wt% [8]. Also, the transition metals (TMs) were decorated on graphene to improve the hydrogen storage [9][10][11].…”

A study on hydrogen storage performance of Ti decorated vacancies graphene structure on the first principle

“…In recent years, multifarious studies have been carried out on the safe storage of hydrogen with the development of the new energy automobile industry. 1,2 In the eld of hydrogen storage materials research, two-dimensional carbonaceous materials, [3][4][5] especially graphene, 6,7 have attracted considerable attention due to their characteristics of a large specic surface area, high ductility, and high adsorption speed. [8][9][10] Generally, two basic processes are employed for hydrogen storage: (i) the polarization of H 2 molecules is induced by generating an electric eld, 11,12 and (ii) H 2 molecules are hybridized with impurity atoms or substrates by the Kubas action.…”