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A new assisted molecular cycloaddition on boron doped silicon surfaces: a predictive DFT-D study

Khaoula Boukari1, Eric Duverger, Louise Stauffer

  • 1Institut de Science des Matériaux de Mulhouse (IS2M), Université de Haute Alsace, CNRS UMR 7361, 3b rue Alfred Werner, 68093 Mulhouse cedex, France. philippe.sonnet@uha.fr.

Physical Chemistry Chemical Physics : PCCP
|May 13, 2014
PubMed
Summary

Density Functional Theory investigated phthalocyanine molecule adsorption on SiC and silicon-boron surfaces. Boron defects on silicon surfaces significantly influence H2Pc adsorption, enabling novel bonding mechanisms like assisted pseudo cycloaddition.

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