Ab initio modeling of Fe(ii) adsorption and interfacial electron transfer at goethite (α-FeOOH) surfaces

Computational Molecular Simulation of the Oxidative Adsorption of Ferrous Iron at the Hematite (001)–Water Interface

(2015) Sebastien Kerisit et al.   Journal of Physical Chemistry C

Molecular Dynamics Study of Fe(II) Adsorption, Electron Exchange, and Mobility at Goethite (α-FeOOH) Surfaces

(2015) Piotr Zarzycki et al.   Journal of Physical Chemistry C

Fe(II)-Catalyzed Recrystallization of Goethite Revisited

(2014) Robert M. Handler et al.   ENVIRONMENTAL SCIENCE & TECHNOLOGY

Electron transport in pure and substituted iron oxyhydroxides by small-polaron migration

(2014) Vitaly Alexandrov et al.   JOURNAL OF CHEMICAL PHYSICS

Density functional theory based calculation of small-polaron mobility in hematite

(2014) Nicole Adelstein et al.   PHYSICAL REVIEW B

Electron Exchange and Conduction in Nontronite from First-Principles

(2013) Vitaly Alexandrov et al.   Journal of Physical Chemistry C

Insights into the Mechanism of Fe(II) Adsorption and Oxidation at Fe–Clay Mineral Surfaces from First-Principles Calculations

(2013) Vitaly Alexandrov et al.   Journal of Physical Chemistry C

Fe Electron Transfer and Atom Exchange in Goethite: Influence of Al-Substitution and Anion Sorption

(2012) Drew E. Latta et al.   ENVIRONMENTAL SCIENCE & TECHNOLOGY

Environmental Speciation of Actinides

(2012) Kate Maher et al.   INORGANIC CHEMISTRY

Theoretical Study of Properties of Goethite (α-FeOOH) at Ambient and High-Pressure Conditions

(2012) Daniel Tunega   Journal of Physical Chemistry C

Uranyl adsorption on solvated edge surfaces of pyrophyllite: a DFT model study

(2012) Alena Kremleva et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Density functional theory study of water adsorption on FeOOH surfaces

(2012) Katrin Otte et al.   SURFACE SCIENCE

Computational methods for intramolecular electron transfer in a ferrous–ferric iron complex

(2011) Piotr Zarzycki et al.   JOURNAL OF COLLOID AND INTERFACE SCIENCE

Adsorption of Zn2+ on the (110) Surface of TiO2 (Rutile): A Density Functional Molecular Dynamics Study

(2011) A. V. Bandura et al.   Journal of Physical Chemistry C

Modeling the iron oxides and oxyhydroxides for the prediction of environmentally sensitive phase transformations

(2011) Haibo Guo et al.   PHYSICAL REVIEW B

Characterization and Reactivity of Iron Nanoparticles prepared with added Cu, Pd, and Ni

(2010) Chan Lan Chun et al.   ENVIRONMENTAL SCIENCE & TECHNOLOGY

Atom Exchange between Aqueous Fe(II) and Goethite: An Fe Isotope Tracer Study

(2009) Robert M. Handler et al.   ENVIRONMENTAL SCIENCE & TECHNOLOGY

Connecting Observations of Hematite (α-Fe2O3) Growth Catalyzed by Fe(II)

(2009) Kevin M. Rosso et al.   ENVIRONMENTAL SCIENCE & TECHNOLOGY

The effect of silica and natural organic matter on the Fe(II)-catalysed transformation and reactivity of Fe(III) minerals

(2009) Adele M. Jones et al.   GEOCHIMICA ET COSMOCHIMICA ACTA

Hydrated goethite (α-FeOOH) (100) interface structure: Ordered water and surface functional groups

(2009) Sanjit K. Ghose et al.   GEOCHIMICA ET COSMOCHIMICA ACTA

Density functional theory study of Fe(II) adsorption and oxidation on goethite surfaces

(2009) Benedict Russell et al.   PHYSICAL REVIEW B

Periodic density functional theory calculations of bulk and the (010) surface of goethite

(2008) James D Kubicki et al.   GEOCHEMICAL TRANSACTIONS

On the protonation of oxo- and hydroxo-groups of the goethite (α-FeOOH) surface: A FTIR spectroscopic investigation of surface O–H stretching vibrations

(2008) Jean-François Boily et al.   GEOCHIMICA ET COSMOCHIMICA ACTA

Linked Reactivity at Mineral-Water Interfaces Through Bulk Crystal Conduction

(2008) S. V. Yanina et al.   SCIENCE