p-Type ohmic contact to MoS(2)via binary compound electrodes

Ren, Yin-Ti1,2,3; Chen, Yuan-Tao3; Hu, Liang3; Wang, Jiang-Long2; Gong, Peng-Lai2; Zhang, Hu2; Huang, Li3; Shi, Xing-Qiang2

2023-02-01

10.1039/d2tc05088a

Journal of Materials Chemistry C   Impact Factor & Quartile

2050-7526

2050-7534

Electronic contacts to two-dimensional (2D) semiconductors, e.g., MoS2, of both n- and p-type, are important for complementary metal-oxide-semiconductor logic circuitry. Here, via systematic first-principles density-functional theory calculations, we report that both n- and p-type ohmic contact to MoS2 can be obtained via different surfaces of the same material, the binary compound covellite (CuS). The weak metallicity is helpful to suppress the metal-induced gap states and hence suppress the Fermi-level pinning effect. Importantly, the work functions of different CuS surfaces varies a lot from 3.8 eV to 5.8 eV. The higher work function F(Cu-S) surface forms a p-type contact to MoS2, and the p-type Schottky barrier height (SBH) can be reduced by increasing the layer number of the MoS2. The origin of the p-type SBH reduction can be attributed to quasi-bonding both at the F(Cu-S)/MoS2 interface and between MoS2 layers, which synergistically shifts the valence band edge up. Due to the large work function variation of CuS surfaces and interface quasi-bonding, p-type ohmic contact to monolayer MoS2 can be obtained with the P(S) surface. Additionally, the P(Cu)/monolayer MoS2 junction forms an n-type ohmic contact because of the large work function variation. The widely tunable SBH and contact types of the binary compound CuS/MoS2 junctions make them promising for high-efficiency electronic and optoelectronic devices.

SCI

English

Corresponding

Natural Science Foundation of China["12274111","11904154"] ; Natural Science Foundation of Hebei Province of China[A2021201001] ; Advanced Talents Incubation Program of the Hebei University[521000981390]

Materials Science ; Physics

Materials Science, Multidisciplinary ; Physics, Applied

WOS:000933259500001

ROYAL SOC CHEMISTRY

Web of Science

1.Harbin Inst Technol, Harbin 150080, Peoples R China
2.Hebei Univ, Coll Phys Sci & Technol, Inst Life Sci & Green Dev, Key Lab Opt Elect Informat & Mat Hebei Prov, Baoding 071002, Peoples R China
3.Southern Univ Sci & Technol, Dept Phys, Shenzhen 518055, Peoples R China

Ren, Yin-Ti,Chen, Yuan-Tao,Hu, Liang,et al. p-Type ohmic contact to MoS(2)via binary compound electrodes[J]. Journal of Materials Chemistry C,2023.

Ren, Yin-Ti.,Chen, Yuan-Tao.,Hu, Liang.,Wang, Jiang-Long.,Gong, Peng-Lai.,...&Shi, Xing-Qiang.(2023).p-Type ohmic contact to MoS(2)via binary compound electrodes.Journal of Materials Chemistry C.

Ren, Yin-Ti,et al."p-Type ohmic contact to MoS(2)via binary compound electrodes".Journal of Materials Chemistry C (2023).