000201613 001__ 201613 000201613 005__ 20240610121312.0 000201613 0247_ $$2doi$$a10.1021/jp403976d 000201613 0247_ $$2ISSN$$a1932-7447 000201613 0247_ $$2ISSN$$a1932-7455 000201613 0247_ $$2WOS$$aWOS:000319649400071 000201613 0247_ $$2altmetric$$aaltmetric:1392461 000201613 037__ $$aFZJ-2015-03907 000201613 082__ $$a540 000201613 1001_ $$0P:(DE-HGF)0$$aEnyashin, Andrey N.$$b0 000201613 245__ $$aLine Defects in Molybdenum Disulfide Layers 000201613 260__ $$aWashington, DC$$bSoc.$$c2013 000201613 3367_ $$0PUB:(DE-HGF)16$$2PUB:(DE-HGF)$$aJournal Article$$bjournal$$mjournal$$s1435322217_21658 000201613 3367_ $$2DataCite$$aOutput Types/Journal article 000201613 3367_ $$00$$2EndNote$$aJournal Article 000201613 3367_ $$2BibTeX$$aARTICLE 000201613 3367_ $$2ORCID$$aJOURNAL_ARTICLE 000201613 3367_ $$2DRIVER$$aarticle 000201613 520__ $$aLayered molecular materials and especially MoS2 are already accepted as promising candidates for nanoelectronics. In contrast to the bulk material, the observed electron mobility in single-layer MoS2 is unexpectedly low. Here we reveal the occurrence of intrinsic defects in MoS2 layers, known as inversion domains, where the layer changes its direction through a line defect. The line defects are observed experimentally by atomic resolution TEM. The structures were modeled and the stability and electronic properties of the defects were calculated using quantum-mechanical calculations based on the Density-Functional Tight-Binding method. The results of these calculations indicate the occurrence of new states within the band gap of the semiconducting MoS2. The most stable nonstoichiometric defect structures are observed experimentally, one of which contains metallic Mo–Mo bonds and another one bridging S atoms. 000201613 536__ $$0G:(DE-HGF)POF2-42G41$$a42G - Peter Grünberg-Centre (PG-C) (POF2-42G41)$$cPOF2-42G41$$fPOF II$$x0 000201613 588__ $$aDataset connected to CrossRef, juser.fz-juelich.de 000201613 7001_ $$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$$y2013 000201613 8564_ $$uhttps://juser.fz-juelich.de/record/201613/files/jp403976d.pdf$$yRestricted 000201613 8564_ $$uhttps://juser.fz-juelich.de/record/201613/files/jp403976d.gif?subformat=icon$$xicon$$yRestricted 000201613 8564_ $$uhttps://juser.fz-juelich.de/record/201613/files/jp403976d.jpg?subformat=icon-1440$$xicon-1440$$yRestricted 000201613 8564_ $$uhttps://juser.fz-juelich.de/record/201613/files/jp403976d.jpg?subformat=icon-180$$xicon-180$$yRestricted 000201613 8564_ $$uhttps://juser.fz-juelich.de/record/201613/files/jp403976d.jpg?subformat=icon-640$$xicon-640$$yRestricted 000201613 8564_ $$uhttps://juser.fz-juelich.de/record/201613/files/jp403976d.pdf?subformat=pdfa$$xpdfa$$yRestricted 000201613 909CO $$ooai:juser.fz-juelich.de:201613$$pVDB 000201613 9101_ $$0I:(DE-588b)5008462-8$$6P:(DE-Juel1)130523$$aForschungszentrum Jülich GmbH$$b1$$kFZJ 000201613 9101_ $$0I:(DE-588b)5008462-8$$6P:(DE-Juel1)130723$$aForschungszentrum Jülich GmbH$$b2$$kFZJ 000201613 9132_ $$0G:(DE-HGF)POF3-899$$1G:(DE-HGF)POF3-890$$2G:(DE-HGF)POF3-800$$aDE-HGF$$bForschungsbereich Materie$$lForschungsbereich Materie$$vohne Topic$$x0 000201613 9131_ $$0G:(DE-HGF)POF2-42G41$$1G:(DE-HGF)POF2-420$$2G:(DE-HGF)POF2-400$$3G:(DE-HGF)POF2$$4G:(DE-HGF)POF$$aDE-HGF$$bSchlüsseltechnologien$$lGrundlagen zukünftiger Informationstechnologien$$vPeter Grünberg-Centre (PG-C)$$x0 000201613 915__ $$0StatID:(DE-HGF)0100$$2StatID$$aJCR 000201613 915__ $$0StatID:(DE-HGF)0110$$2StatID$$aWoS$$bScience Citation Index 000201613 915__ $$0StatID:(DE-HGF)0111$$2StatID$$aWoS$$bScience Citation Index Expanded 000201613 915__ $$0StatID:(DE-HGF)0150$$2StatID$$aDBCoverage$$bWeb of Science Core Collection 000201613 915__ $$0StatID:(DE-HGF)0199$$2StatID$$aDBCoverage$$bThomson Reuters Master Journal List 000201613 915__ $$0StatID:(DE-HGF)0200$$2StatID$$aDBCoverage$$bSCOPUS 000201613 915__ $$0StatID:(DE-HGF)0300$$2StatID$$aDBCoverage$$bMedline 000201613 915__ $$0StatID:(DE-HGF)1150$$2StatID$$aDBCoverage$$bCurrent Contents - Physical, Chemical and Earth Sciences 000201613 915__ $$0StatID:(DE-HGF)9900$$2StatID$$aIF < 5 000201613 920__ $$lyes 000201613 9201_ $$0I:(DE-Juel1)PGI-5-20110106$$kPGI-5$$lMikrostrukturforschung$$x0 000201613 980__ $$ajournal 000201613 980__ $$aVDB 000201613 980__ $$aI:(DE-Juel1)PGI-5-20110106 000201613 980__ $$aUNRESTRICTED 000201613 981__ $$aI:(DE-Juel1)ER-C-1-20170209