Electrocatalytic water splitting is a feasible technology
that
can produce hydrogen from renewable sources. The oxygen evolution
reaction (OER), which has a slower kinetics and higher overpotential
than the hydrogen evolution reaction, is the bottleneck that limits
the overall water splitting. It is essential to develop efficient
OER catalysts to reduce the anode overpotential. Herein, Ni,Co,Yb–FeOOH
nanorod arrays grown directly on a carbon cloth are synthesized by
a simple one-step hydrothermal method. The doped Ni2+ and
Co2+ can occupy Fe2+ and Fe3+ sites
in FeOOH, increasing the concentration of oxygen vacancies (V
O), and the doped Yb3+ with a larger
ionic radius can occupy the interstitial sites, which leads to more
edge dislocations. V
O and edge dislocations
greatly enrich the active sites in FeOOH/CC. In addition, density
functional theory calculations confirm that doping of Ni2+, Co2+, and Yb3+ modulates the electronic structure
of the main active Fe sites, bringing its d-band center closer to
the Fermi level and reducing the Gibbs free energy change of the rate-determining
step of the OER. When the current density reaches 10 mA cm–2, the overpotential of Ni,Co,Yb–FeOOH/CC is only 230.9 mV,
and the Tafel slope is 22.7 mV dec–1. In particular,
a mechanism of multi-cation doping synergistic interaction with the
oxygen vacancy and edge dislocation to enhance the OER catalytic activity
of the material is proposed.