Supertetrahedral aluminum and silicon structures and their hybrid analogues
Тип публикации: Journal Article
Дата публикации: 2014-04-16
scimago Q3
wos Q4
БС2
SJR: 0.27
CiteScore: 3
Impact factor: 1.5
ISSN: 00360236, 15318613
Inorganic Chemistry
Physical and Theoretical Chemistry
Materials Science (miscellaneous)
Краткое описание
New structurally stable compounds-superaluminotetrahedrane (Al104H32), supersilicotetrahedrane (Si104H32) and mixed superaluminosilicotetrahedrane (Al64Si40H32) constructed on the basis of the diamond crystal lattice in which the carbon atoms are replaced by, respectively, Al4 and Si4 tetrahedra and which are supramolecular models of corresponding aluminum and silicon crystal structures—have been studied by the B3LYP/6-31G(d,p) density functional theory method. The small difference between the frontier orbital energies indicates that aluminum compounds can have electroconductive properties and silicon compounds can have semiconducting properties.
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Minyaev R. M., Getmanskii I. V., Minkin V. I. Supertetrahedral aluminum and silicon structures and their hybrid analogues // Russian Journal of Inorganic Chemistry. 2014. Vol. 59. No. 4. pp. 332-336.
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Minyaev R. M., Getmanskii I. V., Minkin V. I. Supertetrahedral aluminum and silicon structures and their hybrid analogues // Russian Journal of Inorganic Chemistry. 2014. Vol. 59. No. 4. pp. 332-336.
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TY - JOUR
DO - 10.1134/s0036023614040123
UR - https://doi.org/10.1134/s0036023614040123
TI - Supertetrahedral aluminum and silicon structures and their hybrid analogues
T2 - Russian Journal of Inorganic Chemistry
AU - Minyaev, R M
AU - Getmanskii, I V
AU - Minkin, V I
PY - 2014
DA - 2014/04/16
PB - Pleiades Publishing
SP - 332-336
IS - 4
VL - 59
SN - 0036-0236
SN - 1531-8613
ER -
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@article{2014_Minyaev,
author = {R M Minyaev and I V Getmanskii and V I Minkin},
title = {Supertetrahedral aluminum and silicon structures and their hybrid analogues},
journal = {Russian Journal of Inorganic Chemistry},
year = {2014},
volume = {59},
publisher = {Pleiades Publishing},
month = {apr},
url = {https://doi.org/10.1134/s0036023614040123},
number = {4},
pages = {332--336},
doi = {10.1134/s0036023614040123}
}
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Minyaev, R. M., et al. “Supertetrahedral aluminum and silicon structures and their hybrid analogues.” Russian Journal of Inorganic Chemistry, vol. 59, no. 4, Apr. 2014, pp. 332-336. https://doi.org/10.1134/s0036023614040123.