Where ∆E is the energy calculated by density functional theory (DFT) method, 𝑍𝐸𝑃 and S are the zero-point energy and entropy, respectively, which can be obtained by the frequency analysis through VASPKIT package (summarized in Table ). T is set as the room temperature of 298.15 K. In addition, the influence of applied electrode potential is considered by the term of ∆𝑈.