Journal Article

FZJ-2015-03907

http://join2-wiki.gsi.de/foswiki/pub/Main/Artwork/join2_logo100x88.png Line Defects in Molybdenum Disulfide Layers

Enyashin, A. N. ; Bar-Sadan, M.FZJ* ; Houben, L.FZJ* ; Seifert, G.

2013
Soc. Washington, DC

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Please use a persistent id in citations: doi:10.1021/jp403976d

Abstract: Layered molecular materials and especially MoS2 are already accepted as promising candidates for nanoelectronics. In contrast to the bulk material, the observed electron mobility in single-layer MoS2 is unexpectedly low. Here we reveal the occurrence of intrinsic defects in MoS2 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 MoS2. The most stable nonstoichiometric defect structures are observed experimentally, one of which contains metallic Mo–Mo bonds and another one bridging S atoms.

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Contributing Institute(s):

1. Mikrostrukturforschung (PGI-5)

Research Program(s):

1. 42G - Peter Grünberg-Centre (PG-C) (POF2-42G41) (POF2-42G41)

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Database coverage:
; Current Contents - Physical, Chemical and Earth Sciences ; IF < 5 ; JCR ; SCOPUS ; Science Citation Index ; Science Citation Index Expanded ; Thomson Reuters Master Journal List ; Web of Science Core Collection

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