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100 _a20220311a2022 k y0engy50 ba
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102 _aCH
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181 0 _ai
182 0 _ab
200 1 _aTheoretical and Experimental Research of Hydrogen Solid Solution in Mg and Mg-Al System
_fLyu Jinzhe, R. R. Elman, L. A. Svyatkin, V. N. Kudiyarov
203 _aText
_celectronic
300 _aTitle screen
320 _a[References: 49 tit.]
330 _aThe study of hydrogen storage properties of Mg-based thin films is of interest due to their unique composition, interface, crystallinity, and high potential for use in hydrogen-storage systems. Alloying Mg with Al leads to the destabilization of the magnesium hydride reducing the heat of reaction, increases the nucleation rate, and decreases the dehydriding temperature. The purpose of our study is to reveal the role of the aluminum atom addition in hydrogen adsorption and accumulation in the Mg-H solid solution. Ab initio calculations of aluminum and hydrogen binding energies in magnesium were carried out in the framework of density functional theory. Hydrogen distribution and accumulation in Mg and Mg-10%Al thin films were experimentally studied by the method of glow-discharge optical emission spectroscopy and using a hydrogen analyzer, respectively. It was found that a hydrogen distribution gradient is observed in the Mg-10%Al coating, with more hydrogen on the surface and less in the bulk. Moreover, the hydrogen concentration in the Mg-10%Al is lower compared to Mg. This can be explained by the lower hydrogen binding energy in the magnesium-aluminum system compared with pure magnesium.
338 _bРоссийский научный фонд
_d19-19-00192
461 _tMaterials
463 _tVol. 15, iss. 5
_v[1667, 13 p.]
_d2022
610 1 _aэлектронный ресурс
610 1 _aтруды учёных ТПУ
610 1 _amagnesium
610 1 _aaluminum
610 1 _athin film
610 1 _ahydrogen
610 1 _afirst-principle calculations
610 1 _aмагний
610 1 _aалюминий
610 1 _aтонкие пленки
610 1 _aводород
701 0 _aLyu Jinzhe
_cphysicist
_cengineer of Tomsk Polytechnic University
_f1993-
_2stltpush
_3(RuTPU)RU\TPU\pers\45439
701 1 _aElman
_bR. R.
_cphysicist
_cEngineer of Tomsk Polytechnic University
_f1997-
_gRoman Romanovich
_2stltpush
_3(RuTPU)RU\TPU\pers\47123
701 1 _aSvyatkin
_bL. A.
_cphysicist
_cAssociate Professor of Tomsk Polytechnic University, Candidate of Physical and Mathematical Sciences
_f1988-
_gLeonid Aleksandrovich
_2stltpush
_3(RuTPU)RU\TPU\pers\34216
701 1 _aKudiyarov
_bV. N.
_cphysicist
_cAssociate Professor of Tomsk Polytechnic University, Candidate of Technical Sciences
_f1990-
_gVictor Nikolaevich
_2stltpush
_3(RuTPU)RU\TPU\pers\30836
712 0 2 _aНациональный исследовательский Томский политехнический университет
_bИнженерная школа ядерных технологий
_bОтделение экспериментальной физики
_h7865
_2stltpush
_3(RuTPU)RU\TPU\col\23549
801 2 _aRU
_b63413507
_c20220513
_gRCR
856 4 _uhttp://earchive.tpu.ru/handle/11683/70739
856 4 _uhttps://doi.org/10.3390/ma15051667
942 _cCF