Communication

Magnus' Green Salt Revisited: Impact of Platinum–Platinum Interactions on Electronic Structure and Carrier Mobilities†

  1. E.-G. Kim1,
  2. K. Schmidt1,
  3. W. R. Caseri2,
  4. T. Kreouzis3,
  5. N. Stingelin-Stutzmann3,
  6. J.-L. Brédas1

Article first published online: 6 JUL 2006

DOI: 10.1002/adma.200600252

Issue

Advanced Materials

Advanced Materials

Volume 18, Issue 15, pages 2039–2043, August, 2006

Additional Information

How to Cite

Kim, E.-G., Schmidt, K., Caseri, W. R., Kreouzis, T., Stingelin-Stutzmann, N. and Brédas, J.-L. (2006), Magnus' Green Salt Revisited: Impact of Platinum–Platinum Interactions on Electronic Structure and Carrier Mobilities. Adv. Mater., 18: 2039–2043. doi: 10.1002/adma.200600252

Author Information

  1. 1

    School of Chemistry and Biochemistry and Center for Organic Photonics and Electronics, Georgia Institute of Technology, Atlanta, GA 30332-0400, USA

  2. 2

    Department of Materials, Eidgenössische Technische Hochschule (ETH) Zürich, Universitätsstrasse 41, 8092 Zürich, Switzerland

  3. 3

    Department of Physics and Department of Materials, Queen Mary, University of London, London E1 4NS, UK

  1. †

    We thank Prof. H. Grönbeck at Chalmers University of Technology, Sweden, for providing the platinum pseudopotential for use with the CPMD code and Dr. A. Schenning at Technical University of Eindhoven, the Netherlands, for supplying the dmoc side groups. Stimulating discussions with Prof. P. Smith at ETH Zürich and Dr. R. L. Martin at the Los Alamos National Laboratory, U.S.A., are also gratefully acknowledged. The work at Georgia Tech was partly supported by the National Science Foundation (CHE-0343421) and the Center for Organic Photonics and Electronics.

Publication History

  1. Issue published online: 27 JUL 2006
  2. Article first published online: 6 JUL 2006
  3. Manuscript Accepted: 17 MAR 2006
  4. Manuscript Received: 7 FEB 2006

Funded by

  • National Science Foundation. Grant Number: CHE-0343421
  • Center for Organic Photonics and Electronics

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Keywords:

  • Charge transport;
  • Hybrid materials, inorganic–organic;
  • Semiconductors;
  • Structure–property relationships
Thumbnail image of graphical abstract

Magnus' green salt is the prototype of a class of organic–inorganic hybrid semiconducting materials that combine attractive charge-transport properties and processability. By using density-functional-theory methods, the electronic structure of Magnus' green salt is investigated, in particular the nature of the interplatinum interactions (see figure). In conjunction with time-of-flight measurements of the carrier mobilities, key structure–property relationships for these materials are re-established.

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