Dr. Jan-Ole Joswig

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Cadmium Chalcogenide Nanoparticles

Nanosystems and nanostructured systems consisting of II-VI semiconductor materials are in the focus of this project. These materials have many interesting properties. Especially, their absorption behaviour is in the focus of this project. Among others, we study nanoparticles consisting of CdS, CdSe, CdTe, and ZnO, and their combinations. These systems have been studied as pure or core-shell particles.
For the calulations, a density-functional tight-binding (DFTB) method is used. We have focused on the excitation spectra calulated with a linear-response scheme and their dependency on the particle structure. The systems have been investigated that contain more than 2200 atoms.

» Selected references:

• Experimental and Theoretical Investigations of the Ligand Structure of Water-Soluble CdTe Nanocrystals,
  S. Leubner, S. Hatami, N. Esendemir, T. Lorenz, J.-O. Joswig, V. Lesnyak, S. Recknagel, N. Gaponik, U. Resch-Genger, and A. Eychmüller,
  Dalton Trans. 42 (2013), 12733-12740.
• Electronic-structure calculations of large cadmium chalcogenide nanoparticles,
  J. Frenzel and J.-O. Joswig,
  Phys. Status Solidi B 249 (2012), 284-391.
• Optical excitations in CdSe/CdS core-shell nanoparticles,
  J. Frenzel, S. Thieme, G. Seifert, and J.-O. Joswig,
  J. Phys. Chem. C, 115 (2011), 10338-10344.
• Optical excitations in cadmium sulfide nanoparticles,
  J. Frenzel, J.-O. Joswig, and G. Seifert,
  J. Phys. Chem. C 111 (2007), 10761-10770.
• The effects of organisation, embedding and surfactants on the properties of cadmium chalcogenide (CdS, CdSe and CdS/CdSe) semiconductor nanoparticles,
  J. Frenzel, J.-O. Joswig, P. Sarkar, G. Seifert, and M. Springborg,
  Eur. J. Inorg. Chem. 2005 (2005), 3585-3596.
• Optical properties of cadmiumsulfide clusters,
  J.-O. Joswig, G. Seifert, T.A. Niehaus, and M. Springborg,
  J. Phys. Chem. B 107 (2003), 2897-2902.
• Stability and band gap of semiconductor clusters,
  J.-O. Joswig, S. Roy, P. Sarkar, and M. Springborg,
  Chem. Phys. Lett. 365 (2002), 75-81.
• Structural and electronic properties of cadmiumsulfide clusters,
  J.-O. Joswig, M. Springborg, and G. Seifert,
  J. Phys. Chem. B 104 (2000), 2617-2622.