High-capacity hydrogen storage by metallized graphene
نویسندگان
چکیده
منابع مشابه
Sc-Decorated Porous Graphene for High-Capacity Hydrogen Storage: First-Principles Calculations
The generalized gradient approximation (GGA) function based on density functional theory is adopted to investigate the optimized geometrical structure, electron structure and hydrogen storage performance of Sc modified porous graphene (PG). It is found that the carbon ring center is the most stable adsorbed position for a single Sc atom on PG, and the maximum number of adsorbed H₂ molecules is ...
متن کاملHydrogen storage in high surface area graphene scaffolds.
Using an optimized KOH activation procedure we prepared highly porous graphene scaffold materials with SSA values up to 3400 m(2) g(-1) and a pore volume up to 2.2 cm(3) g(-1), which are among the highest for carbon materials. Hydrogen uptake of activated graphene samples was evaluated in a broad temperature interval (77-296 K). After additional activation by hydrogen annealing the maximal exce...
متن کاملTransition-metal-ethylene complexes as high-capacity hydrogen-storage media.
From first-principles calculations, we predict that a single ethylene molecule can form a stable complex with two transition metals (TM) such as Ti. The resulting TM-ethylene complex then absorbs up to ten hydrogen molecules, reaching to gravimetric storage capacity of approximately 14 wt %. Dimerization, polymerizations, and incorporation of the TM-ethylene complexes in nanoporous carbon mater...
متن کاملMetal-diboride nanotubes as high-capacity hydrogen storage media.
We investigate the potential for hydrogen storage of a new class of nanomaterials, metal-diboride nanotubes. These materials have the merits of a high density of binding sites on the tubular surfaces without the adverse effects of metal clustering. Using the TiB2 (8,0) and (5,5) nanotubes as prototype examples, we show through first-principles calculations that each Ti atom can host two intact ...
متن کاملIV . C . 6 High - Capacity Hydrogen Storage Systems via
• Use prototype electrostatic ground states (PEGS) [1] and multi-gas canonical linear programming (MGCLP) [2] tools to screen for stable hypersalts of Si-based borohydrides of the type (A/AE)xSiy(BH4)z, in which A and AE are light alkali and alkaline earth metals, respectively. Identify candidates that provide finitetemperature enthalpies within 27 ± 10 kJ/mol-H2. The new Si-BHs are expected to...
متن کاملذخیره در منابع من
با ذخیره ی این منبع در منابع من، دسترسی به آن را برای استفاده های بعدی آسان تر کنید
ژورنال
عنوان ژورنال: Applied Physics Letters
سال: 2008
ISSN: 0003-6951,1077-3118
DOI: 10.1063/1.2963976