This PDF file includes:

• fig. S1. Supercell used for modeling the graphene–H-MoS₂ junction.
  
• fig. S2. Comparison of pinning factor between vdW and chemically bonded junctions.
  
• fig. S3. Φ between 2D H-MoS₂ and various 2D metals calculated by using the PBE-D3 method.
  
• fig. S4. Band structure of H-NbS₂–H-WSe₂ and C₂₀N–H-MoS₂ junctions.
  
• table S1. Comparison of Φ between the PBE and the PBE-D3 methods.

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