Ultrahigh hydrogen storage using metal-decorated defected biphenylene

Density Functional Theory Study of Superalkali NLi4-Decorated Graphdiyne Nanosheets as Hydrogen Storage Materials

“…They found that each Li-doped C9N4 (Li@C9N4) can stably bind six H 2 molecules with an average adsorption energy of 0.20 eV, resulting in a high hydrogen storage capacity of 11.9 wt % . Kaewmaraya et al found that efficient hydrogen storage can be achieved by Li-, Ca-, K-, and Na-functionalized divacancy BPL, where Li- and Na-decorated divacancy BPL have H 2 storage capacities of 6.76 and 6.66 wt %, respectively, exceeding the DOE target value for 2025 . To improve the hydrogen storage capacity of GDY, researchers have used metal atoms to decorate GDY.…”

Trimetallic Zn–Co–Ni Selenide Nanoparticles as Electrocatalysts for the Hydrogen Evolution Reaction

“…Everlasting consumption of fossil fuels on a large scale leads to increasing CO 2 emissions, resulting in serious issues for our society and environment . Hence, the development of renewable and green energy sources is essential to replace conventional fossil fuels. − Hydrogen could be a best alternative to conventional energy sources owing to its highest energy density and environmental friendliness. − At present, the production of hydrogen on an industrial scale is carried out primarily using steam formation and coal gasification. However, these techniques either consume fossil fuels, generate comparatively less hydrogen, and/or emit other harmful gases .…”

Hydrogen storage in Li decorated and defective pentaoctite phosphorene: A density functional theory study

“…Conventional approaches, e.g. pressurized tank and liquid hydrogen fuel come with safety concerns, higher cost along with inadequate energy density [2,3]. Molecular hydrogen storage over nanomaterials is one of the sought after solutions for hydrogen energy.…”

“…Due to their high specific area, several surface dominated applications have been considered to be beneficial including hydrogen storage. A wide variety of monoelemental 2D materials have been thoroughly scrutinized for their application in molecular hydrogen storage, for example, carbon allotropes [3,[8][9][10][11][12], allotropes of phosphorous [13][14][15][16][17][18], allotropes of boron [19][20][21][22][23], silicene and germanene [2,24,25] etc. Apart from monoelemental 2D materials, different dielemental 2D materials have been considered for hydrogen storage, for example, Boron Nitride [26][27][28], Boron sulfide [29], Zinc oxide [30], magnesium hydride [31], Beryllium polynitrides [32], Boron/Carbon nitride [5,33] etc.…”

“…For decoration (also referred as surface functionalization), alkali metals or transition metals are widely chosen to enhance the interaction through the contribution of the adatoms [20,21,34,[36][37][38][39]. Metal decorations with low electronegativities become strongly polarized after being adsorbed over the substrate and as a result, attract H2 molecules [3]. Functionalization of the 2D materials (e.g.…”