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TiS3 Sheet Based Van der Waals Heterostructures with Tunable Schottky Barrier


Monolayer titaniumtrisulfide (TiS3), synthesized recently through exfoliation [Adv. Mater.2015, 27, 2595], has emerged as a new member of 2D materials with outstanding electronic and optical properties. Here, using first–principles calculations we show for the first time the great potential of TiS3 monolayer as the channel materials contacting with graphene and other 2D metallic materials to form van der Waals (vdW) heterostructures, where the intrinsic properties of both the TiS3 monolayer and graphene are preserved, different from the conventional 3D metal/TiS3 semiconductor heterojunction [Nanoscale, 2017, 9, 2068]. Moreover, the TiS3 monolayer forms an n-type Schottky barrier (Φe) contacting with graphene, exhibiting a tunneling barrier and a negative band bending at the lateral interface; The Schottky barrier character can also be changed from n-type to p-type by doping graphene with boron atoms or replacing graphene with other high-work-function 2D metals, while an Ohmic contact can be realized by doping graphene with nitrogen atoms, thus providing a solution to the contact-resistance problem in the 2D electronics.

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Publication details

The article was received on 30 Jul 2017, accepted on 02 Dec 2017 and first published on 04 Dec 2017

Article type: Paper
DOI: 10.1039/C7NR05606K
Citation: Nanoscale, 2017, Accepted Manuscript
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    TiS3 Sheet Based Van der Waals Heterostructures with Tunable Schottky Barrier

    J. Liu, Y. Guo, F. Q. Wang and Q. Wang, Nanoscale, 2017, Accepted Manuscript , DOI: 10.1039/C7NR05606K

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