Browsing by Keywords "Valence electron"

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First principles prediction of the elastic, electronic, and optical properties of Sb 2S 3 and Sb 2Se 3 compounds

Koc H.; Mamedov, A.M.; Deligoz, E.; Ozisik H. (2012)

We have performed a first principles study of structural, mechanical, electronic, and optical properties of orthorhombic Sb 2S 3 and Sb 2Se 3 compounds using the density functional theory within the local density approximation. ...
Periodic mesoporous hydridosilica-synthesis of an "impossible" material and its thermal transformation into brightly photoluminescent periodic mesoporous nanocrystal silicon-silica composite

Xie, Z.; Henderson, E. J.; Dag, Ö.; Wang, W.; Lofgreen, J. E.; Kübel, C.; Scherer, T.; Brodersen, P. M.; Gu, Zhong-Ze; Ozin, G. A. (2011)

There has always been a fascination with "impossible" compounds, ones that do not break any rules of chemical bonding or valence but whose structures are unstable and do not exist. This instability can usually be rationalized ...