fig6

Figure 6. (A) MD calculation of H-Pt SSs/C. The right side is the atomic structure after 2,000 ps, the top is the area of nondetective and strained regions, and the bottom is the area of single atom layer nanopits^[71]; (B) DFT calculation of OH^- absorption energy for NiO after Pt introduction^[72]; (C) Calculated results of energy for MOR processes of Pt, Pt₅P₂, and Pt/Pt₅P₂^[73]; (D) LSV curve of the Co-Rh₂-based MOAHP device, the inset is an optical image of the device^[74]. DFT: Density functional theory; LSV: linear sweep voltammetry; MD: molecular dynamics; MOAHP: methanol oxidation-assisted h₂ production; MOR: methanol oxidation reaction; SSs: superstructures.