S A Suchkova et al 2009 J. Phys.: Conf. Ser. 190 012137 doi:10.1088/1742-6596/190/1/012137
S A Suchkova1, C Castellarin Cudia2 and A Soldatov1
Show affiliationsThe atomic structure models of Zn-porphyrin/C70 multilayer for solar cells were examined. The local atomic structure of the Zn-porphyrin/C70 complex was refined with the use of previously published results [1]. Since near-edge spectral region (XANES) is sensitive to the three-dimensional atomic geometry, the theoretical analysis of the experimental XANES was performed on the basis of finite difference method (FDMnes 2008 program code). Some electronic properties of the complex were obtained from the DFT calculations performed by means of Amsterdam Density Functional program package.
78.70.Dm X-ray absorption spectra
84.60.Jt Photoelectric conversion: solar cells and arrays
71.15.Mb Density functional theory, local density approximation, gradient and other corrections
Condensed matter: electrical, magnetic and optical
Issue 1 (2009)
S A Suchkova et al 2009 J. Phys.: Conf. Ser. 190 012137
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