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<p>By using a larger set of experimental data, for both s,p-metal and d-metal hydroxides, two new semi-empirical correlations between optical band gap, <i>E</i><sub>g,opt</sub>, of hydroxides and the square of the difference of electronegativity between OH-(<InlineEquation ID="IEq1"> <EquationSource Format="TEX">\(\chi OH-\)</EquationSource> <EquationSource Format="MATHML"><math> <mrow> <mi>χ</mi> <mi>O</mi> <mi>H</mi> <mo>-</mo> </mrow> </math></EquationSource> </InlineEquation>) and the metallic cation M<sup>z+</sup> (<InlineEquation ID="IEq2"> <EquationSource Format="TEX">\(\chi Mz+\)</EquationSource> <EquationSource Format="MATHML"><math> <mrow> <mi>χ</mi> <mi>M</mi> <mi>z</mi> <mo>+</mo> </mrow> </math></EquationSource> </InlineEquation>) have been derived. A general analytical expression for the estimate of <i>E</i><sub>g,opt</sub> values of oxyhydroxides has been obtained. A comparison of experimental and estimated <i>E</i><sub>g,opt</sub> values, obtained by using the different expressions, has been carried out. It comes out that for electronegativity value ≤ 1.50, both the two expression provide a good agreement with the experimental <i>E</i><sub>g,opt</sub> data, while for higher electronegativity values, the older heuristic expression seems to provide a better agreement. A general correlation between <i>E</i><sub>g,opt</sub> values, obtained by means of photocurrent spectroscopy technique, and layer composition is also carried out for anodic films grown on different s,p- and d-metals.</p>

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On the semiempirical correlation between optical band gap of hydroxides and the difference of electronegativity of their constituents: a review and a critical assessment

  • 期刊论文

  • 发表日期：

    2025年3月25日

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  • Francesco Di Quarto

摘要

By using a larger set of experimental data, for both s,p-metal and d-metal hydroxides, two new semi-empirical correlations between optical band gap, Eg,opt, of hydroxides and the square of the difference of electronegativity between OH-( \(\chi OH-\) χ O H - ) and the metallic cation Mz+ ( \(\chi Mz+\) χ M z + ) have been derived. A general analytical expression for the estimate of Eg,opt values of oxyhydroxides has been obtained. A comparison of experimental and estimated Eg,opt values, obtained by using the different expressions, has been carried out. It comes out that for electronegativity value ≤ 1.50, both the two expression provide a good agreement with the experimental Eg,opt data, while for higher electronegativity values, the older heuristic expression seems to provide a better agreement. A general correlation between Eg,opt values, obtained by means of photocurrent spectroscopy technique, and layer composition is also carried out for anodic films grown on different s,p- and d-metals.