One-pot Synthesis of NiCe-LDH for Efficient Electrochemical Water Splitting: A Comprehensive Experimental and Theoretical Study

The electrochemical splitting of water is a cost-effective and convenient way to generate H2 gas, utilizing readily available and affordable electrocatalysts. In the present report, a bimetallic LDH consisting of Ni and Ce (NiCe-LDH) was prepared via a very simple solvothermal method for the first time. The results showed that the solvothermal method produced NiCe-LDH nanoflakes with excellent potential for water electrolysis. The investigations found that the NC-2:1/NF sample had low overpotential of 110 mV with Tafel slope of 54.6 mV dec-1 in HER, while the NC-3:2/NF sample had low overpotential of 212 mV with Tafel slopes of 67.5 mV dec-1 in OER. Moreover, NiCe-LDH with NC-2:1 as a cathode and NC-3:2 as an anode provided a low cell voltage of 1.50 V at 10 mA cm-2 for the overall water-splitting reaction. Furthermore, a detailed theoretical investigation using DFT calculations was carried out to clear the mechanism of water electrolysis.