Local Environments in Iron-Bearing Clay Minerals by DFT Approaches: The Case of Structural Fe in Kaolinite
D. Richard, Nicolás M. Rendtorff
Topics & Concepts
Density functional theoryMaterials scienceKaoliniteClay mineralsElectronic structureMössbauer spectroscopyChemical physicsDispersion (optics)Nanoscopic scaleChemistryMineralogyNanotechnologyComputational chemistryCrystallographyPhysicsOpticsClay minerals and soil interactionsSoil and Unsaturated FlowAdvanced NMR Techniques and Applications