“…Therefore, the shear layer of FeCu NC /CS around the FeCu nanocrystals should also be positive in the solution, creating a positive valence space at the interface to trigger a built-in electric field, which is capable of accelerating the anion attraction and cation repulsion at the active surface. To validate the function of a positive valence space on NO 3 – /NH 4 + transfer, FESs were first conducted based on the results of zeta potentials . The initial configuration for Fe SA /CS was set up by placing four conterminous semicircles representing the negatively charged carbon spheres (Figure S7), whereas the model of FeCu NC /CS was established by further immobilizing positively charged particles on the surface. ,, Specifically, the NO 3 – reactant underwent free diffusion to the active surface from the top of the computational domain, and the NH 4 + product was continuously produced from the surface of the models.…”