Lista de obras -

Ab Initio Molecular Dynamics Reveal Spectroscopic Siblings and Ion Pairing as New Challenges for Elucidating Prenucleation Aluminum Speciation

artículo científico publicado en 2018

Acidity Constants of the Hematite-Liquid Water Interface from Ab Initio Molecular Dynamics

scientific article published on 12 September 2018

Al Pulsed Field Gradient, Diffusion-NMR Spectroscopy of Solvation Dynamics and Ion Pairing in Alkaline Aluminate Solutions

article

Analysis of the Fe 2p XPS for hematite α Fe2O3: Consequences of covalent bonding and orbital splittings on multiplet splittings

scientific article published on 01 January 2020

Cluster embedding of ionic systems: Point charges and extended ions

artículo científico publicado en 2019

Corresponding Orbitals Derived from Periodic Bloch States for Electron Transfer Calculations of Transition Metal Oxides

artículo científico publicado en 2018

Covalency in Fe2O3 and FeO: Consequences for XPS satellite intensity

artículo científico publicado en 2020

Cr(III) Adsorption by Cluster Formation on Boehmite Nanoplates in Highly Alkaline Solution

scientific article published on 06 September 2019

Direction-specific van der Waals attraction between rutile TiO2 nanocrystals.

artículo científico publicado en 2017

Dynamic stabilization of metal oxide-water interfaces.

artículo científico publicado en 2017

Effect of structure and composition on the electronic excitation induced amorphization of La2Ti2-xZrxO7 ceramics.

artículo científico publicado en 2019

Effects of Ionic Strength, Salt, and pH on Aggregation of Boehmite Nanocrystals: Tumbler Small-Angle Neutron and X-ray Scattering and Imaging Analysis

artículo científico publicado en 2018

Evolution of Radicals from the Photolysis of High Ionic Strength Alkaline Nitrite Solutions

scientific article published on 10 April 2020

Facet-Dependent Photodegradation of Methylene Blue by Hematite Nanoplates in Visible Light

artículo científico publicado en 2020

Facet-Specific Photocatalytic Degradation of Organics by Heterogeneous Fenton Chemistry on Hematite Nanoparticles

scientific article published on 22 August 2019

Free-Energy Landscape of the Dissolution of Gibbsite at High pH

artículo científico publicado en 2018

Impact of Solution Chemistry and Particle Anisotropy on the Collective Dynamics of Oriented Aggregation

artículo científico publicado en 2018

Implementation and Validation of Constrained Density Functional Theory Forces in the CP2K Package

artículo científico publicado en 2022

Improving the Performance of Hybrid Functional-Based Molecular Dynamics Simulation through Screening of Hartree-Fock Exchange Forces.

artículo científico publicado en 2017

Inference of principal species in caustic aluminate solutions through solid-state spectroscopic characterization

scientific article published on 20 April 2020

Influence of soluble oligomeric aluminum on precipitation in the Al-KOH-H2O system

artículo científico publicado en 2020

Mechanisms and Rates of U(VI) Reduction by Fe(II) in Homogeneous Aqueous Solution and the Role of U(V) Disproportionation.

artículo científico publicado en 2017

Mechanisms of Al3+ Dimerization in Alkaline Solutions

artículo científico publicado en 2020

Molecular Examination of Ion-Pair Competition in Alkaline Aluminate Solutions Using In Situ Liquid SIMS

artículo científico publicado en 2020

Natural, incidental, and engineered nanomaterials and their impacts on the Earth system

artículo científico publicado en 2019

Polaronic structure of excess electrons and holes for a series of bulk iron oxides

artículo científico publicado en 2020

Redistribution of Electron Equivalents between Magnetite and Aqueous Fe2+ Induced by a Model Quinone Compound AQDS

scientific article published on 11 February 2019

Solid-State Recrystallization Pathways of Sodium Aluminate Hydroxy Hydrates

scientific article published on 07 April 2020

Stochastic Simulation of Isotopic Exchange Mechanisms for Fe(II)-Catalyzed Recrystallization of Goethite.

artículo científico publicado en 2017

Structure, Magnetism, and the Interaction of Water with Ti-Doped Fe3O4 Surfaces

scientific article published on 18 October 2019

Synthesis of 2D Hexagonal Hematite Nanosheets and the Crystal Growth Mechanism

artículo científico publicado en 2019

Tc(VII) and Cr(VI) Interaction with Naturally Reduced Ferruginous Smectite from a Redox Transition Zone.

artículo científico publicado en 2017

The Role of Defects in Fe(II)-Goethite Electron Transfer.

artículo científico publicado en 2018

Tipping Point for Expansion of Layered Aluminosilicates in Weakly Polar Solvents: Supercritical CO2.

artículo científico publicado en 2017

Unraveling Gibbsite Transformation Pathways into LiAl-LDH in Concentrated Lithium Hydroxide

scientific article published on 05 September 2019

Visualizing the iron atom exchange front in the Fe(II)-catalyzed recrystallization of goethite by atom probe tomography

artículo científico publicado en 2019

Water Structure Controls Carbonic Acid Formation in Adsorbed Water Films

scientific article published on 20 August 2018

X-ray Linear Dichroism in Apatite

artículo científico publicado en 2018

Lista de obras de

Ab Initio Molecular Dynamics Reveal Spectroscopic Siblings and Ion Pairing as New Challenges for Elucidating Prenucleation Aluminum Speciation

Acidity Constants of the Hematite-Liquid Water Interface from Ab Initio Molecular Dynamics

Al Pulsed Field Gradient, Diffusion-NMR Spectroscopy of Solvation Dynamics and Ion Pairing in Alkaline Aluminate Solutions

Analysis of the Fe 2p XPS for hematite α Fe2O3: Consequences of covalent bonding and orbital splittings on multiplet splittings

Cluster embedding of ionic systems: Point charges and extended ions

Corresponding Orbitals Derived from Periodic Bloch States for Electron Transfer Calculations of Transition Metal Oxides

Covalency in Fe2O3 and FeO: Consequences for XPS satellite intensity

Cr(III) Adsorption by Cluster Formation on Boehmite Nanoplates in Highly Alkaline Solution

Direction-specific van der Waals attraction between rutile TiO2 nanocrystals.

Dynamic stabilization of metal oxide-water interfaces.

Effect of structure and composition on the electronic excitation induced amorphization of La2Ti2-xZrxO7 ceramics.

Effects of Ionic Strength, Salt, and pH on Aggregation of Boehmite Nanocrystals: Tumbler Small-Angle Neutron and X-ray Scattering and Imaging Analysis

Evolution of Radicals from the Photolysis of High Ionic Strength Alkaline Nitrite Solutions

Facet-Dependent Photodegradation of Methylene Blue by Hematite Nanoplates in Visible Light

Facet-Specific Photocatalytic Degradation of Organics by Heterogeneous Fenton Chemistry on Hematite Nanoparticles

Free-Energy Landscape of the Dissolution of Gibbsite at High pH

Impact of Solution Chemistry and Particle Anisotropy on the Collective Dynamics of Oriented Aggregation

Implementation and Validation of Constrained Density Functional Theory Forces in the CP2K Package

Improving the Performance of Hybrid Functional-Based Molecular Dynamics Simulation through Screening of Hartree-Fock Exchange Forces.

Inference of principal species in caustic aluminate solutions through solid-state spectroscopic characterization

Influence of soluble oligomeric aluminum on precipitation in the Al-KOH-H2O system

Mechanisms and Rates of U(VI) Reduction by Fe(II) in Homogeneous Aqueous Solution and the Role of U(V) Disproportionation.

Mechanisms of Al3+ Dimerization in Alkaline Solutions

Molecular Examination of Ion-Pair Competition in Alkaline Aluminate Solutions Using In Situ Liquid SIMS

Natural, incidental, and engineered nanomaterials and their impacts on the Earth system

Polaronic structure of excess electrons and holes for a series of bulk iron oxides

Redistribution of Electron Equivalents between Magnetite and Aqueous Fe2+ Induced by a Model Quinone Compound AQDS

Solid-State Recrystallization Pathways of Sodium Aluminate Hydroxy Hydrates

Stochastic Simulation of Isotopic Exchange Mechanisms for Fe(II)-Catalyzed Recrystallization of Goethite.

Structure, Magnetism, and the Interaction of Water with Ti-Doped Fe3O4 Surfaces

Synthesis of 2D Hexagonal Hematite Nanosheets and the Crystal Growth Mechanism

Tc(VII) and Cr(VI) Interaction with Naturally Reduced Ferruginous Smectite from a Redox Transition Zone.

The Role of Defects in Fe(II)-Goethite Electron Transfer.

Tipping Point for Expansion of Layered Aluminosilicates in Weakly Polar Solvents: Supercritical CO2.

Unraveling Gibbsite Transformation Pathways into LiAl-LDH in Concentrated Lithium Hydroxide

Visualizing the iron atom exchange front in the Fe(II)-catalyzed recrystallization of goethite by atom probe tomography

Water Structure Controls Carbonic Acid Formation in Adsorbed Water Films

X-ray Linear Dichroism in Apatite