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Letter

Novel Cage Clusters of MoS₂ in the Gas Phase

Supporting Info

D. M. David Jeba Singh,^† T. Pradeep,*^† Joydeep Bhattacharjee,^‡ and U. V. Waghmare*^‡

Unit on Nanoscience and Technology (UNANST-DST), Department of Chemistry and Sophisticated Analytical Instrument Facility, Indian Institute of Technology Madras, Chennai 600 036, India, and Theoretical Sciences Unit, Jawaharlal Nehru Centre for Advanced Scientific Research, Jakkur PO, Bangalore 560 064, India

J. Phys. Chem. A, 2005, 109 (33), pp 7339–7342

DOI: 10.1021/jp052454u

Publication Date (Web): July 20, 2005

†

Indian Institute of Technology Madras.

Corresponding authors. E-mail: (T.P.) pradeep@iitm.ac.in; (U.V.W.) waghmare@jncasr.ac.in.

‡

Jawaharlal Nehru Centre for Advanced Scientific Research.

Abstract

Laser evaporation of MoS₂ nanoflakes gives negatively charged magic number clusters of compositions Mo₁₃S₂₅ and Mo₁₃S₂₈, which are shown to have closed-cage structures. The clusters are stable and do not show fragmentation in the post-source decay analysis even at the highest laser powers. Computations suggest that Mo₁₃S₂₅ has a central cavity with a diameter of 4.5 Å. The nanosheets of MoS₂ could curl upon laser irradiation, explaining the cluster formation.

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