This article discusses a study that successfully integrated theoretical predictions with experimental results to enhance the electrooxidation of glycerol on NiCo2O4 nanosheets. This research, led by Prof. Kai Yan from Sun Yat-sen University, China, utilized density functional theory (DFT) calculations and electrochemical methods to demonstrate how the active species OH* plays a crucial role in the process, making the conversion of glycerol into formic acid more efficient by optimizing the reaction’s rate-determining step. This innovation could significantly improve the electrocatalytic conversion of biomass-derived glycerol, offering a sustainable alternative for formic acid production. For more details, you can read the full article on Phys.org: