Tailoring metals, axial ligands, and carbon substrates in TMN4–graphene for direct seawater electrolysis: A synergistic approach using density functional theory and machine learning algorithms
Wenhao Miao, Qiuling Jiang, Xiuxuan Hou, Lin Cheng, Shize Liu, Yong Cheng, Ying Wang
Topics & Concepts
SeawaterElectrolysisGrapheneDensity functional theoryCarbon fibersMaterials scienceAlgorithmChemistryChemical engineeringComputer scienceNanotechnologyComputational chemistryComposite numberEngineeringOceanographyPhysical chemistryElectrodeGeologyElectrolyteMachine Learning in Materials ScienceElectrocatalysts for Energy ConversionAmmonia Synthesis and Nitrogen Reduction