STRUCTURAL AND ELECTRONIC PROPERTIES OF CuO, CuO2 AND Cu2O NANOCLUSTERS – A DFT APPROACH
<p>The realistic structures of CuO, CuO<sub>2</sub> and Cu<sub>2</sub>O were completely optimized using density functional theory approach. The different structures were optimized to study the structural stability, dipole moment, point symmetry, HOMO-LUMO gap, ionizatio...
| Egile Nagusiak: | , , |
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| Formatua: | Artikulua |
| Hizkuntza: | English |
| Argitaratua: |
Kaunas University of Technology
2015-06-01
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| Saila: | Medžiagotyra |
| Gaiak: | |
| Sarrera elektronikoa: | http://matsc.ktu.lt/index.php/MatSc/article/view/6459 |