biostudies-literaturePark JHHPC WalesLEAST-STARnet/MARCO/DARPA/SRC NRI SWANNational Science Foundatione1701661https://www.ebi.ac.uk/biostudies/studies/S-EPMC5650486biostudies-literatureUnknown3(10)Integration of transition metal dichalcogenides (TMDs) into next-generation semiconductor platforms has been limited due to a lack of effective passivation techniques for defects in TMDs. The formation of an organic-inorganic van der Waals interface between a monolayer (ML) of titanyl phthalocyanine (TiOPc) and a ML of MoS₂ is investigated as a defect passivation method. A strong negative charge transfer from MoS₂ to TiOPc molecules is observed in scanning tunneling microscopy. As a result of the formation of a van der Waals interface, the <i>I</i>_ON/<i>I</i>_OFF in back-gated MoS₂ transistors increases by more than two orders of magnitude, whereas the degradation in the photoluminescence signal is suppressed. Density functional theory modeling reveals a van der Waals interaction that allows sufficient charge transfer to remove defect states in MoS₂. The present organic-TMD interface is a model system to control the surface/interface states in TMDs by using charge transfer to a van der Waals bonded complex.Science advancesDefect passivation of transition metal dichalcogenides via a charge transfer van der Waals interface.PMC5650486HPCW0285award340454award340456award340455DMR 1207213Amani MPark JHSanne AZhang KBanerjee SKGuo YJavey ARobertson JMovva HCPRobinson JAKummel ACfalseDefect passivation of transition metal dichalcogenides via a charge transfer van der Waals interface.Integration of transition metal dichalcogenides (TMDs) into next-generation semiconductor platforms has been limited due to a lack of effective passivation techniques for defects in TMDs. The formation of an organic-inorganic van der Waals interface between a monolayer (ML) of titanyl phthalocyanine (TiOPc) and a ML of MoS₂ is investigated as a defect passivation method. A strong negative charge transfer from MoS₂ to TiOPc molecules is observed in scanning tunneling microscopy. As a result of the formation of a van der Waals interface, the <i>I</i>_ON/<i>I</i>_OFF in back-gated MoS₂ transistors increases by more than two orders of magnitude, whereas the degradation in the photoluminescence signal is suppressed. Density functional theory modeling reveals a van der Waals interaction that allows sufficient charge transfer to remove defect states in MoS₂. The present organic-TMD interface is a model system to control the surface/interface states in TMDs by using charge transfer to a van der Waals bonded complex.2017-01-01T00:00:00Z2017 Oct2026-05-06T00:23:33.567Z2019-03-27T02:59:32ZS-EPMC56504862906289210.1126/sciadv.1701661