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Comparative DFT study of the oxy(hydr)oxides of iron and aluminum – structural, electronic and surface properties.

Walber Gonçalves Guimarães, Guilherme Ferreira de Lima, Hélio A. Duarte

2021Surface Science10 citationsDOI

Topics & Concepts

CorundumChemistryAdsorptionElectronic structureGoethiteHematiteMetalDensity functional theoryChemical physicsPhysical chemistryComputational chemistryMineralogyOrganic chemistryIron oxide chemistry and applicationsMinerals Flotation and Separation TechniquesClay minerals and soil interactions
Comparative DFT study of the oxy(hydr)oxides of iron and aluminum – structural, electronic and surface properties. | Litcius