Moybdenum-based subnanometre diameter nanowires are easy to synthesize and disperse,
and they exhibit a variety of functional properties in which they are superior to other
one-dimensional materials. However, further progress in the understanding of
physical properties and the development of new and specific applications have so far
been impeded by the fact that their structure was not accurately known. Here
we report on a combination of systematic x-ray diffraction and extended x-ray
absorption fine structure experiments, and first-principles theoretical structure
calculations, which are used to determine the atomic skeletal structure of individual
Mo6S9−xIx (MoSIx) nanowires, their packing arrangement within bundles and their electronic band structure.
From this work we conclude that the variations in functional properties appear to arise
from different stoichiometry, not skeletal structure. A supplementary data file is available
from http://stacks.iop.org/0957-4484/16/1578
3 molar ratios of ≥3 in an oxidation atmosphere have been synthesized in the pure state. X-ray absorption near-edge structure (XANES) spectroscopy has been used to determine the average valence state of chromium in the samples. The presence of unusual chromium valence states, 4+ and 5+, which was proposed via X-ray diffractometry studies, is strongly supported.
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