Interfacial electronic states and self-formed p-n junctions in hydrogenated MoS2/SiC heterostructureElectronic supplementary information (ESI) available. See DOI: 10.1039/c8tc00742j

• Main Authors: Fang, Qinglong, Zhao, Xumei, Huang, Yuhong, Xu, Kewei, Min, Tai, Chu, Paul K, Ma, Fei
• Format: Journal Article
• Published: 26.04.2018
• ISSN: 2050-7526; 2050-7534
• DOI: 10.1039/c8tc00742j

It is difficult to generate p-n junctions in atomically thin transition metal dichalcogenides (TMDs) because of the great challenge of selective doping. First-principles calculations demonstrate that the electronic states in monolayer MoS 2 could be substantially tuned through contact with hydrogenated SiC sheets, as a result of interface-induced electronic doping. Specifically, monolayer MoS 2 exhibits metallic characteristics when put in contact with the Si termination of SiC-H (MoS 2 /SiC-H), but exhibits ambipolar type polarization when in contact with the C termination of CSi-H (MoS 2 /CSi-H). Furthermore, monolayer MoS 2 can be switched from p-type on H-Si terminations (MoS 2 /H-SiC and MoS 2 /H-SiC-H) to n-type on H-C terminations (MoS 2 /H-CSi and MoS 2 /H-CSi-H). Accordingly, p-n junctions can be generated in bilayer MoS 2 if a fully hydrogenated monolayer SiC is inserted between the layers. In addition, the staggered band alignment of the top and bottom monolayers of MoS 2 leads to considerable rectification of current. The results are helpful for the design of TMD based nanoelectronic devices. It is difficult to generate p-n junctions in atomically thin transition metal dichalcogenides (TMDs) because of the great challenge of selective doping.