Official websites use .gov
A
.gov website belongs to an official
government organization in the United States.
Secure .gov websites use HTTPS
A lock (
) or https:// means you've safely
connected to the .gov website. Share sensitive
information only on official, secure websites.
Theoretical studies of the crystal structures, electronic structure, free‐energy, and electron transfer properties of NCNT, FeCo@NCNT, and NPC/FeCo@NCNT. a–c) The optimized geometry models. d) The calculated density of states. e) Free‐energy change of the intermediates (*OOH, *O, and *OH) in the standard four electron transfer reaction pathway. The insets show the optimized adsorption geometry of O2, *OOH, *O, and *OH on the three electrocatalysts.
