Supertetrahedral aluminum and silicon structures and their hybrid analogues View Full Text


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Article Info

DATE

2014-04-17

AUTHORS

R. M. Minyaev, I. V. Getmanskii, V. I. Minkin

ABSTRACT

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. More... »

PAGES

332-336

References to SciGraph publications

  • 2010-10-22. The era of carbon allotropes in NATURE MATERIALS
  • 2010-10-20. Supertetrahedrane—A new possible carbon allotrope in DOKLADY CHEMISTRY
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    http://scigraph.springernature.com/pub.10.1134/s0036023614040123

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    http://dx.doi.org/10.1134/s0036023614040123

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