title: Misorientation-angle-dependent electrical transport across molybdenum disulfide grain boundaries.
abstract: Grain boundaries in monolayer transition metal dichalcogenides have unique atomic defect structures and band dispersion relations that depend on the inter-domain misorientation angle. Here, we explore misorientation angle-dependent electrical transport at grain boundaries in monolayer MoS2 by correlating the atomic defect structures of measured devices analysed with transmission electron microscopy and first-principles calculations. Transmission electron microscopy indicates that grain boundaries are primarily composed of 5-7 dislocation cores with periodicity and additional complex defects formed at high angles, obeying the classical low-angle theory for angles <22°. The inter-domain mobility is minimized for angles <9° and increases nonlinearly by two orders of magnitude before saturating at ∼ 16 cm(2) V(-1) s(-1) around misorientation angle ≈ 20°. This trend is explained via grain-boundary electrostatic barriers estimated from density functional calculations and experimental tunnelling barrier heights, which are ≈ 0.5 eV at low angles and ≈ 0.15 eV at high angles (≥ 20°).
authors.affiliation: IBS Center for Integrated Nanostructure Physics (CINAP), Institute for Basic Science, Sungkyunkwan University, Suwon 440-746, Korea.
authors.forename: Thuc Hue
authors.initials: TH
authors.lastname: Ly
authors.affiliation: IBS Center for Integrated Nanostructure Physics (CINAP), Institute for Basic Science, Sungkyunkwan University, Suwon 440-746, Korea.
authors.forename: David J
authors.initials: DJ
authors.lastname: Perello
authors.affiliation: IBS Center for Integrated Nanostructure Physics (CINAP), Institute for Basic Science, Sungkyunkwan University, Suwon 440-746, Korea.
authors.forename: Jiong
authors.initials: J
authors.lastname: Zhao
authors.affiliation: IFW Dresden, Institute of Solid State Research, P.O. Box 270116, D-01171 Dresden, Germany.
authors.forename: Qingming
authors.initials: Q
authors.lastname: Deng
authors.affiliation: IBS Center for Integrated Nanostructure Physics (CINAP), Institute for Basic Science, Sungkyunkwan University, Suwon 440-746, Korea.|Department of Energy Science, Sungkyunkwan University, Suwon 440-746, Korea.
authors.forename: Hyun
authors.initials: H
authors.lastname: Kim
authors.affiliation: IBS Center for Integrated Nanostructure Physics (CINAP), Institute for Basic Science, Sungkyunkwan University, Suwon 440-746, Korea.
authors.forename: Gang Hee
authors.initials: GH
authors.lastname: Han
authors.affiliation: IBS Center for Integrated Nanostructure Physics (CINAP), Institute for Basic Science, Sungkyunkwan University, Suwon 440-746, Korea.
authors.forename: Sang Hoon
authors.initials: SH
authors.lastname: Chae
authors.affiliation: IBS Center for Integrated Nanostructure Physics (CINAP), Institute for Basic Science, Sungkyunkwan University, Suwon 440-746, Korea.|Department of Energy Science, Sungkyunkwan University, Suwon 440-746, Korea.
authors.forename: Hye Yun
authors.initials: HY
authors.lastname: Jeong
authors.affiliation: IBS Center for Integrated Nanostructure Physics (CINAP), Institute for Basic Science, Sungkyunkwan University, Suwon 440-746, Korea.|Department of Energy Science, Sungkyunkwan University, Suwon 440-746, Korea.
authors.forename: Young Hee
authors.initials: YH
authors.lastname: Lee
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