Sulphuretted hydrogen from artificial graphite
نویسندگان
چکیده
منابع مشابه
Kinetic Monte Carlo studies of hydrogen abstraction from graphite.
We present Monte Carlo simulations on Eley-Rideal abstraction reactions of atomic hydrogen chemisorbed on graphite. The results are obtained via a hybrid approach where energy barriers derived from density functional theory calculations are used as input to Monte Carlo simulations. By comparing with experimental data, we discriminate between contributions from different Eley-Rideal mechanisms. ...
متن کاملHydrogen Dynamics in Magnesium and Graphite
Magnesium, nanotubes, graphitic nanofibers, and graphite represent interesting opportunities for efficient hydrogen storage applications and motivate first-principle investigations of the hydrogen energetics and dynamics that describe such potential technological usage. We present spin-polarized electron-density calculations of adsorption energies and diffusion barriers for both chemisorbed and...
متن کاملExfoliated Graphite Nanofibers for Hydrogen Storage
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 کاملQuantum delocalization of molecular hydrogen in alkali-graphite intercalates.
The adsorption of molecular hydrogen (H2) in the graphite intercalation compound KC24 is studied both experimentally and theoretically. High-resolution inelastic neutron data show spectral features consistent with a strong pinning of H2 along a single axis. First-principles calculations provide novel insight into the nature of H2 binding in intercalates but fail to account for the symmetry of t...
متن کاملA hydrogen storage nanotank: lithium-organic pillared graphite.
From first-principle based grand canonical Monte-Carlo simulations, we propose a new hydrogen storage material, lithium-organic pillared graphite, showing high H2 uptake of 4.0 wt% and 41.9 kg m(-3) at 300 K and 100 bar.
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: The Analyst
سال: 1914
ISSN: 0003-2654,1364-5528
DOI: 10.1039/an9143900067