Berlin 2014 – scientific programme

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MO: Fachverband Molekülphysik

MO 5: Posters 1: Electronic Spectroscopy, Photochemistry, Femtosecond Spectroscopy

MO 5.6: Poster

Monday, March 17, 2014, 16:30–18:30, Spree-Palais

Measuring and modeling the size and shape dependent electronic structure of diamondoid particles — •Jana Ulrich, Tobias Zimmermann, Robert Richter, Thomas Möller, and Torbjörn Rander — Institut für Optik und Atomare Physik, Hardenbergstr. 36, 10623 Berlin, Deutschland

Diamondoids are a class of sp3-hybridised carbon nano-structures [1]. The first member is adamantane, which can be seen as the smallest possible diamond. Through structural modification of one or more adamantane units, a completely size selectable range of particles can be obtained [2]. We report on the electronic structure of certain such particles, investigated with valence photoelectron spectroscopy. In our studies we were especially interested in the size dependent change of the ionization potential [3]. In large nanoparticles such changes can be described by the quantum confinement theory [4]. As this model was developed for much larger structures (typically 3-50 nm), we explored whether it is applicable to predict the ionization potential of the few-atom samples of different geometries. The basic principles of the modeling and its results in comparison to the experimental data will be presented.

	[1]	H. Schwertfeger, A.A. Fokin and P. R. Schreiner,
		Angew. Chem. Int. Ed. Engl. 47, 1022 - 36 (2008)
	[2]	A. A. Fokin et al., J. Am. Chem. Soc. 134, 13641-13650 (2012)
	[3]	T. Zimmermann et al., J. Chem. Phys. 139, 084310 (2013)
	[4]	L. E. Brus, J. Chem. Phys. 79, 5566 (1983)