Magnus' green salt revisited: Impact of platinum-platinum interactions on electronic structure and carrier mobilities

Eung Gun Kim*, Karin Schmidt, Walter R. Caseri, Theo Kreouzis, Natalie Stingelin-Stutzmann, Jean-Luc Bredas

*Corresponding author for this work

Research output: Contribution to journalArticlepeer-review

19 Scopus citations

Abstract

The impact of platinum and platinum interactions on electronic structure and carrier mobilities is discussed. The need of semiconducting materials that could combine high charge-carrier mobilities and ease of processability has focused the in a class of hybrid organic-inorganic materials. The geometric and electronic structure of the Magnus' green salt was investigated using density functional theory in the framework of a plane-wave/pseudopotential implementation. The DFT electronic band structure allows to identify the nature of the majority charge carrier and to predict the nature of the carrier mobility to interplatinum separation. A larger deviation of the cell length from the experimental value for the crystal is expected because the absence of interchain interactions in single-chain calculations should affect the relatively weaker interplatinum bonds to a greater extent.

Original languageEnglish (US)
Pages (from-to)2039-2043
Number of pages5
JournalAdvanced Materials
Volume18
Issue number15
DOIs
StatePublished - Aug 4 2006

ASJC Scopus subject areas

  • Materials Science(all)

Fingerprint

Dive into the research topics of 'Magnus' green salt revisited: Impact of platinum-platinum interactions on electronic structure and carrier mobilities'. Together they form a unique fingerprint.

Cite this