Na-coated hexagonal B 36 as superior hydrogen storage materials
نویسندگان
چکیده
منابع مشابه
Ca-coated boron fullerenes and nanotubes as superior hydrogen storage materials.
A comprehensive study was performed on hydrogen adsorption and storage in Ca-coated boron fullerenes and nanotubes by means of density functional computations. Ca strongly binds to boron fullerene and nanotube surfaces due to charge transfer between Ca and the B substrate. Accordingly, Ca atoms do not cluster on the surface of the boron substrate, while transition metals (such as Ti and Sc) per...
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) ...
متن کاملCovalent organic frameworks as exceptional hydrogen storage materials.
We report the H2 uptake properties of six covalent organic frameworks (COFs) from first-principles-based grand canonical Monte-Carlo simulations. The predicted H2 adsorption isotherm is in excellent agreement with the only available experimental result (3.3 vs 3.4 wt % at 50 bar and 77 K for COF-5), also reported here, validating the predictions. We predict that COF-105 and COF-108 lead to a re...
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 کاملSuperior hydrogen storage in high entropy alloys
Metal hydrides (MHx) provide a promising solution for the requirement to store large amounts of hydrogen in a future hydrogen-based energy system. This requires the design of alloys which allow for a very high H/M ratio. Transition metal hydrides typically have a maximum H/M ratio of 2 and higher ratios can only be obtained in alloys based on rare-earth elements. In this study we demonstrate, f...
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: Journal of Saudi Chemical Society
سال: 2018
ISSN: 1319-6103
DOI: 10.1016/j.jscs.2017.07.006