Understanding Charge Transfer in Donor-Acceptor/Metal Systems: A Combined Theoretical and Experimental Study

J. L. Cabellos; D. J. Mowbray; E. Goiri; A. El-Sayed; L. Floreano; D. G. de Oteyza; C. Rogero; J. E. Ortega; A. Rubio

doi:10.1021/jp3004213

Understanding Charge Transfer in Donor-Acceptor/Metal Systems: A Combined Theoretical and Experimental Study

Materials Science 2013-08-27 v1

Authors: J. L. Cabellos , D. J. Mowbray , E. Goiri , A. El-Sayed , L. Floreano , D. G. de Oteyza , C. Rogero , J. E. Ortega , A. Rubio

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Abstract

We develop an effective potential approach for assessing the flow of charge within a two-dimensional donor-acceptor/metal network based on core-level shifts. To do so, we perform both density functional theory (DFT) calculations and x-ray photoemission spectroscopy (XPS) measurements of the core-level shifts for three different monolayers adsorbed on a Ag substrate. Specifically, we consider perfluorinated pentacene (PFP), copper phthalocyanine (CuPc) and their 1:1 mixture (PFP+CuPc) adsorbed on Ag(111).

Keywords

charge transfer core-level shifts density functional theory x-ray photoemission spectroscopy donor-acceptor metal substrate

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@article{arxiv.1308.5277,
  title  = {Understanding Charge Transfer in Donor-Acceptor/Metal Systems: A Combined Theoretical and Experimental Study},
  author = {J. L. Cabellos and D. J. Mowbray and E. Goiri and A. El-Sayed and L. Floreano and D. G. de Oteyza and C. Rogero and J. E. Ortega and A. Rubio},
  journal= {arXiv preprint arXiv:1308.5277},
  year   = {2013}
}

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12 pages, 10 figures

Understanding Charge Transfer in Donor-Acceptor/Metal Systems: A Combined Theoretical and Experimental Study

Abstract

Keywords

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