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000201613 1001_ $$0P:(DE-HGF)0$$aEnyashin, Andrey N.$$b0
000201613 245__ $$aLine Defects in Molybdenum Disulfide Layers
000201613 260__ $$aWashington, DC$$bSoc.$$c2013
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000201613 520__ $$aLayered 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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000201613 7001_ $$0P:(DE-Juel1)130523$$aBar-Sadan, Maya$$b1$$ufzj
000201613 7001_ $$0P:(DE-Juel1)130723$$aHouben, Lothar$$b2$$ufzj
000201613 7001_ $$0P:(DE-HGF)0$$aSeifert, Gotthard$$b3
000201613 773__ $$0PERI:(DE-600)2256522-X$$a10.1021/jp403976d$$gVol. 117, no. 20, p. 10842 - 10848$$n20$$p10842 - 10848$$tThe @journal of physical chemistry <Washington, DC> / C$$v117$$x1932-7455$$y2013
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