This
article critically reviews the literature on iron-based catalysts
for the high-temperature water–gas shift (HT-WGS) reaction.
The reaction mechanism, reaction intermediates, rate-determining step,
kinetics, active site, and promoters are covered. Unlike the low-temperature
water–gas shift (LT-WGS) reaction by Cu/ZnO catalysts that
has received intensive analysis with modern in situ and operando spectroscopy
and DFT studies, the corresponding HT-WGS reaction by Fe-based catalysts
still lacks a fundamental understanding because of the absence of
modern catalysis studies of this important catalytic system. Given
the role of the WGS catalysts on production of H2 for a
hydrogen economy, it is imperative that the fundamental molecular-level
understanding of the HT-WGS catalyst be advanced.