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Analysis of the nitrogen K-edge x-ray absorption spectra of Zn-porphyrin/C70-fulleren complex for solar cells

S A Suchkova et al 2009 J. Phys.: Conf. Ser. 190 012137 (4pp)   doi: 10.1088/1742-6596/190/1/012137  Help

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S A Suchkova1, C Castellarin Cudia2 and A Soldatov1
1 Southern Federal University, Sorge str. 5, 344090 Rostov-on-Don, Russia
2 Sincrotrone Trieste S.C.p.A, s.s. 14 km 163.5 in Area Science Park, 34012 Trieste, Italy
E-mail: suchkova_sv@inbox.ru

Abstract. The 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.

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