Распреление электронной плотности в системе никель-водород
| Parent link: | Перспективы развития фундаментальных наук=Prospects of Fundamental Sciences Development: сборник научных трудов XIV Международной конференции студентов, аспирантов и молодых ученых, г. Томск, 25-28 апреля 2017 г./ Национальный исследовательский Томский политехнический университет (ТПУ) ; под ред. И. А. Курзиной, Г. А. Вороновой.— , 2017 Т. 1 : Физика.— 2017.— [С. 363-365] |
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| Summary: | Заглавие с экрана The results of first-principle calculations of electron density distribution and density difference between electrons with different spins in the Ni-H system is presented. Placements of hydrogen in the interstitial sites of nickel lattice leads to an increase in the covalent component of the chemical bond between the nearest H and Ni atoms. Analysis of the difference in the density of electrons with spin up and spin down in the Ni-H system shows that with increasing hydrogen concentration in nickel this difference of electron density in an interstitial region decreases. |
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2017
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| Online Access: | http://earchive.tpu.ru/handle/11683/41482 |
| Format: | Electronic Book Chapter |
| KOHA link: | https://koha.lib.tpu.ru/cgi-bin/koha/opac-detail.pl?biblionumber=622708 |