Dual effect of the coordination field and sulphuric acid on the properties of a single-atom catalyst in the electrosynthesis of H<sub>2</sub>O<sub>2</sub>
Jin-kong Pan, Qiaojun Fang, Qian Xia, Anfu Hu, Fu-li Sun, Wei Zhang, Yifan Yu, Gui‐Lin Zhuang, Jian Jiang, Jianguo Wang
Abstract
The critical roles of coordination field and sulphuric acid on the properties of a single-atom catalyst in the electrosynthesis of H 2 O 2 were uncovered by the combination of DFT calculations and AIMD simulation.
Topics & Concepts
ElectrosynthesisCatalysisAtom (system on chip)ChemistryDual (grammatical number)Field (mathematics)Inorganic chemistryPhysical chemistryElectrochemistryOrganic chemistryComputer scienceElectrodePure mathematicsMathematicsEmbedded systemArtLiteratureElectrocatalysts for Energy ConversionCO2 Reduction Techniques and CatalystsAdvanced battery technologies research