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A: Fachverband Atomphysik

A 12: Clusters I (with MO)

A 12.7: Vortrag

Dienstag, 7. März 2017, 12:30–12:45, N 6

Infrared spectra and structures of boron-doped silicon clusters — •Bertram Klaus August Jaeger¹, Nguyen Xuan Truong¹, Sandy Gewinner², Wieland Schöllkopf², Andre Fielicke¹, and Otto Dopfer¹ — ¹IOAP, TU Berlin, Germany — ²FHI, Berlin, Germany

Silicon-based nanostructures have gained interest for nanoelectronics and nanophotonics. Therefore, the investigation of controlled change of physical and chemical properties of silicon clusters by doping will aid in developing novel cluster-containing nanostructures. Here we study neutral silicon-rich silicon-boron clusters (Si_nB_m, n=3-8, m=1-2) via mass spectrometry, resonant infrared-ultraviolet two-color ionization (IR-UV2CI) spectroscopy and quantum chemical calculations [1]. The most stable isomers are found utilizing global energy optimization. Their linear IR absorption spectra are compared to the IR-UV2CI spectra, thus determining the geometries of the observed Si_nB_m clusters. Different physical properties such as charge distributions, ionization energies and bond energies will be discussed. As the B-B bond is stronger than the B-Si and Si-Si bonds, boron segregation is observed for Si_nB_m clusters with m=2.
N.X. Truong et al., Int. J. Mass Spectrom., 2016, 395, 1-6