Atomic-scale structure of Mo6S6 nanowires


Atomic-scale structure of Mo6S6 nanowires

Kibsgaard, J.; Tuxen, A.; Levisen, M.; Lægsgaard, E.; Gemming, S.; Seifert, G.; Lauritsen, J.; Besenbacher, F.

We have studied atomic-scale structure of the Mo6S6 nanowires using Scanning Tunneling Microscopy and Spectroscopy (STM and STS) and Density Functional Theory (DFT). A novel synthesis route based on metallic Mo precursors is presented for the selective formation of elementary pure Mo6S6 nanowires. The Mo6S6 nanowires selectively organize as trimer bundles, and each of the Mo6S6 nanowires consists of an electrically conducting Mo backbone dressed with a sulfur exterior cap. The Mo6S6 nanowires may thus be of interest as novel building blocks in nanoelectronics since the Mo6S6 nanowires exist in a robust, singular structural conformation with uniquely defined electrical (metallic) properties.

Keywords: nanowires; molybedenum sulfide; DFT; DF-TB; density-functional; STM; STS; scanning-tunneling microscopy; scanning tunneling spectroscopy

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