Comparative DFT study of inner-sphere As(iii) complexes on hydrated α-Fe2O3(0001) surface models

First-principles simulation of arsenate adsorption on the (11¯2) surface of hematite

(2012) Marc Blanchard et al.   GEOCHIMICA ET COSMOCHIMICA ACTA

Environmental mineralogy – Understanding element behavior in ecosystems

(2011) Gordon E. Brown et al.   COMPTES RENDUS GEOSCIENCE

Weak interfacial water ordering on isostructural hematite and corundum (001) surfaces

(2011) Jeffrey G. Catalano   GEOCHIMICA ET COSMOCHIMICA ACTA

Origin, separation and identification of environmental nanoparticles: a review

(2011) Tsung M. Tsao et al.   JOURNAL OF ENVIRONMENTAL MONITORING

The devil is in the details (or the surface): impact of surface structure and surface energetics on understanding the behavior of nanomaterials in the environment

(2011) Imali A. Mudunkotuwa et al.   JOURNAL OF ENVIRONMENTAL MONITORING

Multiple kinetic Langmuir modeling to predict the environmental behaviour of As(v) in soils

(2011) Johannes T. van Elteren et al.   JOURNAL OF ENVIRONMENTAL MONITORING

Hybridization-reactivity relationship in Pb(II) adsorption on α-Al2O3-water interfaces: A DFT Study

(2011) Sara E. Mason et al.   Journal of Physical Chemistry C

Surface Structure and Environment-Dependent Hydroxylation of the Nonpolar Hematite (100) from Density Functional Theory Modeling

(2011) Haibo Guo et al.   Journal of Physical Chemistry C

Post density functional theoretical studies of highly polar semiconductive Pb(Ti1−xNix)O3−xsolid solutions: Effects of cation arrangement on band gap

(2011) G. Y. Gou et al.   PHYSICAL REVIEW B

Electronic structures of dynamically stable As2O3, Sb2O3, and Bi2O3crystal polymorphs

(2011) Akifumi Matsumoto et al.   PHYSICAL REVIEW B

Density functional theory investigation of the interaction of water withα−Al2O3andα−Fe2O3 (11̲02) surfaces: Implications for surface reactivity

(2011) Shela Aboud et al.   PHYSICAL REVIEW B

Arsenic Exposure and Toxicology: A Historical Perspective

(2011) Michael F. Hughes et al.   TOXICOLOGICAL SCIENCES

Mediating effect of ROS on mtDNA damage and low ATP content induced by arsenic trioxide in mouse oocytes

(2011) Wenya Zhang et al.   TOXICOLOGY IN VITRO

DFT study of Sb(III) and Sb(V) adsorption and heterogeneous oxidation on hydrated oxide surfaces

(2011) Sara E. Mason et al.   Computational and Theoretical Chemistry

Insights into the Surface Complexation of Dimethylarsinic Acid on Iron (Oxyhydr)oxides from ATR-FTIR Studies and Quantum Chemical Calculations

(2010) Adrian Adamescu et al.   ENVIRONMENTAL SCIENCE & TECHNOLOGY

Water Adsorption on α-Fe2O3(0001) at near Ambient Conditions

(2010) Susumu Yamamoto et al.   Journal of Physical Chemistry C

Effect of Coadsorption of Electrolyte Ions on the Stability of Inner-Sphere Complexes

(2010) S. Ponnurangam et al.   Journal of Physical Chemistry C

Density functional theory study of clean, hydrated, and defective alumina(11¯02)surfaces

(2010) Sara E. Mason et al.   PHYSICAL REVIEW B

A comparative study of As(III) and As(V) in aqueous solutions and adsorbed on iron oxy-hydroxides by Raman spectroscopy

(2010) Katharina Müller et al.   WATER RESEARCH

Recent Developments in the Methods and Applications of the Bond Valence Model

(2009) Ian David Brown   CHEMICAL REVIEWS

The chemistry and behaviour of antimony in the soil environment with comparisons to arsenic: A critical review

(2009) Susan C. Wilson et al.   ENVIRONMENTAL POLLUTION

Structure and oxidation state of hematite surfaces reacted with aqueous Fe(II) at acidic and neutral pH

(2009) Jeffrey G. Catalano et al.   GEOCHIMICA ET COSMOCHIMICA ACTA

Pb(II) Adsorption on Isostructural Hydrated Alumina and Hematite (0001) Surfaces: A DFT Study

(2009) Sara E. Mason et al.   Journal of Physical Chemistry C

Platinum Group Metal Adsorption on Clean and Hydroxylated Corundum Surfaces

(2009) Ludovic G. V. Briquet et al.   Journal of Physical Chemistry C

A LEED analysis of the clean surfaces of α-Fe2O3(0001) and α-Cr2O3(0001) bulk single crystals

(2009) Maike Lübbe et al.   JOURNAL OF PHYSICS-CONDENSED MATTER

Elucidating the Bimodal Acid−Base Behavior of the Water−Silica Interface from First Principles

(2009) Kevin Leung et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Interaction of Aqueous Zn(II) with Hematite Nanoparticles and Microparticles. Part 1. EXAFS Study of Zn(II) Adsorption and Precipitation

(2009) Juyoung Ha et al.   LANGMUIR

Simultaneous inner- and outer-sphere arsenate adsorption on corundum and hematite

(2008) Jeffrey G. Catalano et al.   GEOCHIMICA ET COSMOCHIMICA ACTA

Zinc surface complexes on birnessite: A density functional theory study

(2008) Kideok D. Kwon et al.   GEOCHIMICA ET COSMOCHIMICA ACTA

Surface science of complex environmental interfaces: Oxide and carbonate surfaces in dynamic equilibrium with water vapor

(2008) Vicki H. Grassian   SURFACE SCIENCE

DFT characterization of coverage dependent molecular water adsorption modes on α-Al2O3(0001)

(2007) Víctor A. Ranea et al.   SURFACE SCIENCE