Theoretical study of sorption and diffusion of hydrogen in intermetallic compound Mg 2Ni
Автор: Eliseeva N.S., Kuzubov A.A., Krasnov P.O., Fedorov A.S., Lykhin A.O.
Журнал: Сибирский аэрокосмический журнал @vestnik-sibsau
Рубрика: Технологические процессы и материалы
Статья в выпуске: 5 (45), 2012 года.
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In this report we present theoretical study of intermetallic compound Mg 2Ni as a promising material for hydrogen absorbtion. Processes of hydrogen sorption and diffusion in the bulk of this material are investigated. The influence of Mg 2NiH x structure features on sorption energy of hydrogen atoms is studied.
Hydrogen energy, sorption, diffusion, mg 2ni, теория функционала плотности (dft), density functional theory (dft)
Короткий адрес: https://sciup.org/148176946
IDR: 148176946
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