Quantum chemical modeling of solid-state B 4 X structures containing tetrahedral B 4 units with X = B, C, Al, Si
| Autor: | Iliya V. Getmanskii, Vitaliy V. Koval, R. M. Minyaev, Vladimir I. Minkin |
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| Rok vydání: | 2018 |
| Předmět: |
Quantum chemical
Chemistry Solid-state A diamond 02 engineering and technology General Chemistry 010402 general chemistry 021001 nanoscience & nanotechnology 01 natural sciences 0104 chemical sciences Crystallography Lattice (order) Tetrahedron C/AL 0210 nano-technology computer computer.programming_language |
| Zdroj: | Mendeleev Communications. 28:173-175 |
| ISSN: | 0959-9436 |
| DOI: | 10.1016/j.mencom.2018.03.021 |
| Popis: | The quantum chemical modeling of new solid state structures based on a diamond lattice in which pairs of carbon atoms are replaced by B4X fragments (where B4 is a tetrahedron and X are B, C, Al or Si atoms) has been performed using density functional calculations. |
| Databáze: | OpenAIRE |
| Externí odkaz: |
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