Modeling and optical properties of P2 O5 -ZnO-CaO- Na2 O glasses doped with copper oxide
Prof. Dr. Hanan Gouda Abdelwahab Ahmed Elhaes; Attallah, Mohamed; Elbashar, Yahia; Al-Alousi, Ayser; El-Okr, Mohamed; Ibrahim, Medhat;
Abstract
Homogeneous sodium calcium phosphate glasses doped with copper ions having general composition 42P2O5-39ZnO-(16-x)Na 2O-3CaO-xCu2O [x = 2, 4, 6, 8 and 10 mol%] were prepared using conventional melt-quench method. The influences of the amount of Cu 2O on the structure, physical and chemical properties of the glasses were investigated using density, X-ray diffraction technique and UV-visible optical absorption. The density was measured by Archimedes method, molar volume (VM) was calculated. It is found that density and molar volume show opposite trend by increasing Cu2O content. Analyses of the obtained results were considered in the frame of current theories. The obtained data reveal band pass filtering effect. Absorption data were used to determine the optical band gap (Eopt), the cut off in UV and IR regions. E opt values for different glass samples are found to decrease with increasing Cu2O content. PM3 semiemperical quantum mechanical method is used to construct a model molecule for the studied structures. The structural features, thermal parameters and band gap energy were calculated at the same level of theory. Copyright © 2014 American Scientific Publishers All rights reserved.
Other data
Title | Modeling and optical properties of P<inf>2</inf>O<inf>5</inf>-ZnO-CaO- Na<inf>2</inf>O glasses doped with copper oxide | Authors | Prof. Dr. Hanan Gouda Abdelwahab Ahmed Elhaes ; Attallah, Mohamed; Elbashar, Yahia; Al-Alousi, Ayser; El-Okr, Mohamed; Ibrahim, Medhat | Keywords | Optical properties;Molar volume;UV-visible absorption;Semiemperical PM3;Phosphate glasses | Issue Date | 1-Jan-2014 | Publisher | AMER SCIENTIFIC PUBLISHERS | Journal | Journal of Computational and Theoretical Nanoscience | ISSN | 15461955 | DOI | 10.1166/jctn.2014.3608 | Scopus ID | 2-s2.0-84906730618 | Web of science ID | WOS:000342179100002 |
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