Electronic modulation of oxygen evolution on metal doped NiFe layered double hydroxides

Abstract The bottleneck of electrochemical water splitting is the sluggish kinetics of oxygen evolution reaction (OER). Layered double hydroxides (LDHs) have been proposed as active and affordable electrocatalysts in OER. It has been reported that the activity of LDHs can be effectively tuned by doping of other metals. Despite previous experimental synthesis and improved catalytic performance, the in-depth OER mechanism on metal doped LDHs remains ambiguous. In the present work, transition metals (Cr, Mn and Co) doped NiFe LDHs were designed to investigate the doping effect in OER by both experimental analysis and density functional theory calculations. Based on experimental results, the intrinsic OER activity is Cr-NiFe LDHs > Co-NiFe LDHs > Mn-NiFe LDHs > NiFe LDHs, while the enhanced catalytic performance upon doping can be attributed to the interface effect, which results in the tuning of the binding energies of the intermediate states in OER.