“…Considering the usability of the electrode in experiments and their lattice mismatch with ML C 3 N, bulk metals, including Pt, Pd, Au, and Ni, were chosen. [49][50][51][52] In addition, we considered 2D MXenes, including Zr 2 CF 2 , Ti 2 CF 2 , Zr 2 C(OH) 2 , and Ti 2 C(OH) 2 , because 2D MXenes can form van der Waals contacts with 2D semiconductors, which suppress Fermi level pinning and aid in achieving desired ohmic contacts. [53][54][55][56] To simulate the metal surface, ve layers of metal atoms were constructed for the bulk Au, Ni, Pd, and Pt electrodes, while the ML conguration was constructed for the layered 2D metals.…”