Year: 2013
Type: article
Abstract: Layered molecular materials and especially MoS 2 are already accepted as promising candidates for nanoelectronics. In contrast to the bulk material, the observed electron mobility in single-layer MoS 2 is unexpectedly low. Here we reveal the occurrence of intrinsic defects in MoS 2 layers, known as inversion domains, where the layer changes its direction through a line defect. The line defects are observed experimentally by atomic resolution TEM. The structures were modeled and the stability and electronic properties of the defects were calculated using quantum-mechanical calculations based on the Density-Functional Tight-Binding method. The results of these calculations indicate the occurrence of new states within the band gap of the semiconducting MoS 2 . The most stable nonstoichiometric defect structures are observed experimentally, one of which contains metallic Mo–Mo bonds and another one bridging S atoms.
DOI: 10.1021/jp403976d
Language: English
Subfield: Materials Chemistry
Field: Materials Science
Domain: Physical Sciences
Open Access status: green
OpenAlex ID: W2009374883