Structure of functional graphite as hydrogen storage and cell materials.
نویسندگان
چکیده
منابع مشابه
Density Functional Studies on Crystal Structure and electronic properties of Potassium Alanate as a candidate for Hydrogen storage
Potassium Alanate is one of the goal candidates for hydrogen storage during past decades. In this report, initially the Density Functional Theory was applied to simulate the electronic and structural characteristic of the experimentally known KAlH4 complex hydride. The relaxation of unit cell parameters and atomic positions was performed until the total residual force reduced less than 0.001ev ...
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Exfoliation of graphite nanofibers (GNF) expands the interplanar spacing of the GNF which leads to increased hydrogen storage. The exfoliation technique plays a large role in the resulting GNF microstructure, surface area, and hydrogen storage properties. Variations in preparation conditions expand the GNF lattice from 3.4 Å to over 500 Å. The BET surface area of the exfoliated GNF increases as...
متن کاملdensity functional studies on crystal structure and electronic properties of potassium alanate as a candidate for hydrogen storage
potassium alanate is one of the goal candidates for hydrogen storage during past decades. in this report, initially the density functional theory was applied to simulate the electronic and structural characteristic of the experimentally known kalh4 complex hydride. the relaxation of unit cell parameters and atomic positions was performed until the total residual force reduced less than 0.001ev ...
متن کاملHydrazine Borane and Hydrazinidoboranes as Chemical Hydrogen Storage Materials
Hydrazine borane N2H4BH3 and alkali derivatives (i.e., lithium, sodium and potassium hydrazinidoboranes MN2H3BH3 with M = Li, Na and K) have been considered as potential chemical hydrogen storage materials. They belong to the family of boronand nitrogen-based materials and the present article aims at providing a timely review while focusing on fundamentals so that their effective potential in t...
متن کاملPotential of AlN nanostructures as hydrogen storage materials.
The capability of AlN nanostructures (nanocages, nanocones, nanotubes, and nanowires) to store hydrogen has been studied using gradient-corrected density functional theory. In contrast to bulk AlN, which has the wurtzite structure and four-fold coordination, the Al sites in AlN nanostructures are unsaturated and have two- and three-fold coordination. Each Al atom is capable of binding one H(2) ...
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ژورنال
عنوان ژورنال: Journal of Advanced Science
سال: 2000
ISSN: 1881-3917,0915-5651
DOI: 10.2978/jsas.12.166