TY  - JOUR
AU  - Guo, Junnan
AU  - Dai, Xinyue
AU  - Zhang, Lishu
AU  - Li, Hui
TI  - Electron Transport Properties of Graphene/WS2 Van Der Waals Heterojunctions
JO  - Molecules
VL  - 28
IS  - 19
SN  - 1420-3049
CY  - Basel
PB  - MDPI
M1  - FZJ-2024-02844
SP  - 6866 -
PY  - 2023
AB  - Van der Waals heterojunctions of two-dimensional atomic crystals are widely used to build functional devices due to their excellent optoelectronic properties, which are attracting more and more attention, and various methods have been developed to study their structure and properties. Here, density functional theory combined with the nonequilibrium Green’s function technique has been used to calculate the transport properties of graphene/WS2 heterojunctions. It is observed that the formation of heterojunctions does not lead to the opening of the Dirac point of graphene. Instead, the respective band structures of both graphene and WS2 are preserved. Therefore, the heterojunction follows a unique Ohm’s law at low bias voltages, despite the presence of a certain rotation angle between the two surfaces within the heterojunction. The transmission spectra, the density of states, and the transmission eigenstate are used to investigate the origin and mechanism of unique linear I–V characteristics. This study provides a theoretical framework for designing mixed-dimensional heterojunction nanoelectronic devices.
LB  - PUB:(DE-HGF)16
C6  - 37836709
UR  - <Go to ISI:>//WOS:001094712300001
DO  - DOI:10.3390/molecules28196866
UR  - https://juser.fz-juelich.de/record/1025381
ER  -