Study the Electronic and Spectroscopic Characteristics of p-n Heterojunction Hybrid (Sn10O16/C24O6) via Density Functional Theory (DFT)

The electronic characteristics, including the density of state and bond length, in addition to the spectroscopic properties such as IR spectrum and Raman scattering, as a function of the frequency of Sn10O16, C24O6, and hybrid junction (Sn10O16/C24O6) were studied. The methodology uses DFT for all electron levels with the hybrid function B3-LYP (Becke level, 3-parameters, Lee–Yang-Parr), with 6-311G (p,d)  basis set, and Stuttgart/Dresden (SDD) basis set, using Gaussian 09 theoretical calculations. The geometrical structures were calculated by Gaussian view 05 as a supplementary program. The band gap was calculated and compared to the measured values. The density of state of the hybrid junction (Sn10O16/C24O6) increased because of the increased number of degeneracy states. Theoretical values of bonds for C=C, C=O, and Sn-O are equal to 1.33, 1.20 and 2.27 Å respectively, these bonds values are in good agreement with experimental values of bond length of 1.34 for the C=C bond, 1.23 for the C=O bond, and 2.3 for the Sn-O bond. . The spectroscopic properties, such as IR spectra have shown a peak which is comparable to longitudinal modes of GO and tin dioxide SnO2 at  (1582 and 690) cm-1, respectively

The Effects of context on bone assemblages: examples from the Uruk Period in Southwest Iran

Using data from Uruk sites in southwest Iran, this study examines the effects of depositional context and social variables on the composition of faunal assemblages. Examination of samples from inside structures and open midden or trash pits showed that delicate bones belonging to small or young individuals were more likely to survive inside buildings, and larger bones to be deposited outside. Comparison of Early, Middle, and Late Uruk samples shows an increase in the presence of sheep/goat and pig, but indicates that utilization of cattle remained constant. Little social variability was indicated by comparison of samples associated with high status and low status buildings, or from areas associated with administrative and non-administrative activities.A l'aide de données de sites du S.O. de l'Iran, époque d'Uruk, cette étude examine, les effets aussi bien des contextes dépositionnels sur les assemblages fauniques que ceux exercés par les variables d'ordre social. L'examen d'échantillons prélevés à l'intérieur des structures mais aussi dans des fosses à détritus ou dans des zones de rejets ont montré que les ossements les plus fragiles, c'est-à-dire ceux appartenant à des individus jeunes ou petits, avaient plus de chance d'être bien préservés à l'intérieur des bâtiments et que les ossements plus grands étaient en général à l'extérieur. Une comparaison entre des échantillons Uruk ancien, Uruk moyen et Uruk final montre un accroissement de la présence des chèvres/moutons et porcs, et une constante dans l'utilisation du bétail. Une variabilité très faible d'ordre social est indiquée par la comparaison d'échantillons associés à des bâtiments de haut statut ou de bas statut, ou provenant de zones associées à des activités administratives ou non administratives.Mudar Karen M. The Effects of context on bone assemblages: examples from the Uruk Period in Southwest Iran. In: Paléorient, 1988, vol. 14, n°1. pp. 151-168

Electronic Structure of Gallium Phosphide Nanocrystals Core and (001)-(1 × 1) Oxidized Surface

The electronic structure of III-V zinc blend Gallium Phosphide nanocrystals is investigated using ab-initio density functional theory coupled with large unit cell for the core and surface parts. Two kinds of cells are investigated: multiple Bravais and multiple primitive cells. The results show that both energy gap and valence band width depend on the shape of the nanocrystal. Results also revealed that most electronic properties converge to some limit as the size of the large unit cell increases. Furthermore, the results have shown that the cohesive energy is decreasing with increasing size of nanocrystals. The core part is more degenerate, with larger energy gap and smaller valance and conduction bands than the surface

Verbal and physical aggression in couples where the female partner is drinking heavily

This study evaluated (i) frequencies of aggression in maritally distressed problem drinking (DP) women relative to controls, (ii) aggression, marital satisfaction, and partner drinking in predicting female drinking, and (iii) discrepant within-couple drinking in predicting marital distress. The sample included 27 DP women, 24 maritally distressed nonproblem drinking women (DNP women), and 24 women with neither problem (NDNP women). DP women reported frequencies of physical aggression similar to DNP women, but less male verbal aggression than DNP women. Predictors of female drinking were marital satisfaction and male drinking, but aggression did not predict female drinking. Female marital satisfaction was predicted by interspousal discrepancies in drinking after accounting for verbal aggression