Thermodynamic Correlations and Band Gap Calculations in Metal Oxides
نوع المنشور
بحث أصيل
المؤلفون
  • H. S. HILAL
  • J. Portier
  • I. SAADEDDIN
  • S.J. HWANG
  • G. Campet
  • M.A. Subramanian

Thermodynamic parameters and energy-band gap of a given metal oxide, are suitable measures of its stability. For this reason, direct correlations between energy-band gap or chemical hardness, and thermodynamic parameters (e.g. standard enthalpy of formation) have been constructed for different metal oxides. Furthermore, a simple relationship to calculate values of energy-band gaps, for metal oxides, from values of their enthalpies of formation, is presented here. When tested, an appreciable number of metal oxides from s- , p- and d-blocks well obeyed the relationship, while a number of metal oxides deviated. A qualitative theoretical account for such different behaviors is presented here.

المجلة
العنوان
Progress in Solid State Chemistry Volume 32, Issues 3-4, 2004, Pages 207-217
الناشر
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بلد الناشر
فلسطين
نوع المنشور
Both (Printed and Online)
المجلد
--
السنة
2005
الصفحات
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