Theoretical and experimental investigation on the influence of the molecular polarizability of novel zinc phthalocyanine derivatives on the open circuit voltage of organic hetero-junction solar cells

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• 作者：Ingmar Bruder ; Antti Ojala ; Christian Lennartz ; Sudhakar Sundarraj ; Jan Schö ; neboom ; Rü ; diger Sens ; Jaehyung Hwang ; Peter Erk ; Jü ; rgen Weis
• 关键词：Organic heterojunction solar cell ; Molecular polarizability ; Single crystal structure ; Coulomb interaction
• 刊名：Solar Energy Materials and Solar Cells
• 出版年：2010
• 出版时间：February 2010
• 年：2010
• 卷：94
• 期：2
• 页码：310-316
• 全文大小：610 K

文摘

The influence of the molecular polarizability α of different donor molecules on the open circuit voltage V_oc of organic hetero-junction solar cells (HJCs) was theoretically and experimentally investigated. Therefore, novel zinc phthalocyanine (ZnPc) derivatives were synthesized having phenyl, naphthyl or anthracenyl groups attached to basic ZnPc cores. By adding bulky groups, the molecular polarizability was successively increased. Since the influence of α on the Coulomb interaction of charges will depend on the molecular arrangement of the respective molecules, the respective single crystal structures were solved by high resolution XRD. Based on the solved structures, quantum mechanical calculations of the charge separation mechanism were performed on model systems. The implications of the observed electronic effects will be discussed and related to the device performance.