Ontology highlight
ABSTRACT:
SUBMITTER: Seivane LF
PROVIDER: S-EPMC4242514 | biostudies-literature | 2013
REPOSITORIES: biostudies-literature
Seivane Lucas Fernandez LF Barron Hector H Botti Silvana S Marques Miguel Alexandre Lopes MA Rubio Angel A López-Lozano Xóchitl X
Journal of materials research 20130101 2
The structural, electronic and magnetic properties of quasi-one-dimensional MoS<sub>2</sub> nanowires, passivated by extra sulfur, have been determined using <i>ab initio</i> density-functional theory. The nanostructures were simulated using several different models based on experimental electron microscopy images. It is found that independently of the geometrical details and the coverage of extra sulfur at the Mo-edge, quasi-one-dimensional metallic states are predominant in all the low-energy ...[more]