Abstract
The work presents both theoretical and experimental studies of Mg–C, Ni–C, Mg–Ni–C composites. The composites were produced in carbon-helium plasma flow. The composites were hydrogenised directly in synthesis process. Out of three composites under study only Mg–Ni–C contains MgH2 hydride. Hydride content is 69.99 at.%, the remaining magnesium is in oxidized state – 30.06 at.%. Photographs of Mg–Ni–C composite particles dehydrogenation were made with a scanning microscope. Ab initio theoretical studies established that diffusion rate of hydrogen atoms in magnesium hydride with Ni impurities is increased substantially in the vicinity of Ni atoms. It can be used for the magnesium hydrogenation process acceleration. Also it was defined that nickel prefers to form many layers covering on magnesium surface by island growth mechanism.
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- HF:
-
high-frequency
- XPS:
-
X-ray photoelectron spectroscopy
- DFT:
-
density-functional theory
- PBC:
-
periodical boundary conditions
References
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Acknowledgements
Financial support from the Russian Foundation for Basic Research under grant No. 09-03-00383 is gratefully acknowledged. The authors appreciate Institute of Computational Modeling SB RAS for opportunity to use their cluster computer for all calculations.
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Churilov, G.N. et al. (2011). Small Size Particles of Different Metal Alloys with Protective Shell for Hydrogen Storage. In: Zaginaichenko, S., Schur, D., Skorokhod, V., Veziroglu, A., İbrahimoğlu, B. (eds) Carbon Nanomaterials in Clean Energy Hydrogen Systems - II. NATO Science for Peace and Security Series C: Environmental Security, vol 2. Springer, Dordrecht. https://doi.org/10.1007/978-94-007-0899-0_14
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DOI: https://doi.org/10.1007/978-94-007-0899-0_14
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