Carbon-modified MgH2: Experimental and ab-initio Investigations
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Toufic Tayeh
The results of experimental and theoretical investigations of carbon-modified MgH2 for improving its sorption performances in hydrogen storage devices are reported. Large changes on its absorption/desorption capacities have been found. The following aspects are considered: size effects where finer particles obtained by energetic ball milling enable easier penetration, catalytic effects of carbon at the surface, and entrance of small quantities of C interstitially into the MgH2 structure. The energies and charge densities as studied by DFT suggest the activation of MgH2 through a decrease of the cohesive energy of the pristine hydride and a reduced ionic charge on hydrogen.
Graphical Abstract
Carbon-modified MgH2: Experimental and ab-initio Investigations
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Articles in the same Issue
- Synthesis, Structure and Thermal Decomposition of a New Iodine Inclusion Compound in the 2,2-Dimethylpropane-1,3-diamine/HI/I2 System
- Rapid Microwave Synthesis and Structural Phase Diagram of LnxY1−xMnO3
- Gold-Tin Ordering in SrAu2Sn2
- The Stannides EuPd2Sn2, EuPt2Sn2, EuAu2Sn2, and Eu5.4Sn5.6 – Structure and Magnetic Properties
- Line-Shape Analyses of Solid-state 17O NMR Spectra for Hexagonal Ice
- A Novel Alkali-Metal Hydrido-tris(pyrazolyl)borate (Tp*) Complex. Isolation and Crystal Structure of [(Me2CO)3(NaTp*)2]
- Synthesis and Structure of an Aluminum Bis(3-chloropentanedionate) Isopropoxide: [Al(μ-OiPr)(3-Clacac)2]2
- Carbon-modified MgH2: Experimental and ab-initio Investigations
- Synthesis and Antitumor Activity of Some N2-(Thien-3-yl)amidrazones
- Synthesis of New TGX-221 Analogs
- Crystal Structure Explains Crystal Habit for the Antiviral Drug Rimantadine Hydrochloride
- The Reaction of Cyanamidium Salts with Ylidenecyanamide Derivatives
- Iridoid Glycosides from Lagotis alutacea
- Solid-state and Calculated Electronic Structure of 4-Acetylpyrazole
