相关参考文献
注意:仅列出部分参考文献,下载原文获取全部文献信息。Defects induced by Al substitution enhance As(V) adsorption on ferrihydrites
Taiane G. F. Souza et al.
JOURNAL OF HAZARDOUS MATERIALS (2021)
Structural Chemistry of Akdalaite, Al10O14(OH)2, the Isostructural Aluminum Analogue of Ferrihydrite
John B. Parise et al.
CRYSTALS (2019)
Emerging technologies for arsenic removal from drinking water in rural and peri-urban areas: Methods, experience from, and options for Latin America
Rahul Kumar et al.
SCIENCE OF THE TOTAL ENVIRONMENT (2019)
Comment on Roles of Hydration and Magnetism on the Structure of Ferrihydrite from First Principles
Alain Manceau
ACS EARTH AND SPACE CHEMISTRY (2019)
Roles of Hydration and Magnetism on the Structure of Ferrihydrite from First Principles
Michel Sassi et al.
ACS EARTH AND SPACE CHEMISTRY (2019)
Density functional theory characterization of the structures of H3AsO3 and H3AsO4 adsorption complexes on ferrihydrite
Nelson Y. Dzade et al.
ENVIRONMENTAL SCIENCE-PROCESSES & IMPACTS (2018)
Surface structure controlling nanoparticle behavior: magnetism of ferrihydrite, magnetite, and maghemite
Tjisse Hiemstra
ENVIRONMENTAL SCIENCE-NANO (2018)
Hubbard parameters from density-functional perturbation theory
Iurii Timrov et al.
PHYSICAL REVIEW B (2018)
Probing the local environment of substitutional Al in goethite using X-ray absorption spectroscopy and first-principles calculations
Manoj Ducher et al.
PHYSICS AND CHEMISTRY OF MINERALS (2016)
Effects of crystallite size on the structure and magnetism of ferrihydrite
Xiaoming Wang et al.
ENVIRONMENTAL SCIENCE-NANO (2016)
2H and 27Al Solid-State NMR Study of the Local Environments in Al-Doped 2-Line Ferrihydrite, Goethite, and Lepidocrocite
Jongsik Kim et al.
CHEMISTRY OF MATERIALS (2015)
Formation, stability, and solubility of metal oxide nanoparticles: Surface entropy, enthalpy, and free energy of ferrihydrite
Tjisse Hiemstra
GEOCHIMICA ET COSMOCHIMICA ACTA (2015)
First principles phonon calculations in materials science
Atsushi Togo et al.
SCRIPTA MATERIALIA (2015)
Structural and magnetic properties of ferrihydrite nanoparticles
C. J. Masina et al.
RSC ADVANCES (2015)
CRITIC2: A program for real-space analysis of quantum chemical interactions in solids
A. Otero-de-la-Roza et al.
COMPUTER PHYSICS COMMUNICATIONS (2014)
Incorporation of Al in iron oxyhydroxides: implications for the structure of ferrihydrite
A. Manceau et al.
CLAY MINERALS (2013)
Enhancement of DFT-calculations at petascale: Nuclear Magnetic Resonance, Hybrid Density Functional Theory and Car-Parrinello calculations
Nicola Varini et al.
COMPUTER PHYSICS COMMUNICATIONS (2013)
Arsenic Scavenging by Aluminum-Substituted Ferrihydrites in a Circumneutral pH River Impacted by Acid Mine Drainage.
Areej Adra et al.
ENVIRONMENTAL SCIENCE & TECHNOLOGY (2013)
Thermodynamics of Al-substitution in Fe-oxyhydroxides
Nathan Pinney et al.
GEOCHIMICA ET COSMOCHIMICA ACTA (2013)
Properties of impurity-bearing ferrihydrite I. Effects of Al content and precipitation rate on the structure of 2-line ferrihydrite
A. Cristina Cismasu et al.
GEOCHIMICA ET COSMOCHIMICA ACTA (2012)
Quantum mechanical calculations on Fe - O - H nanoparticles
James D. Kubicki et al.
GEODERMA (2012)
Composition and structural aspects of naturally occurring ferrihydrite
A. Cristina Cismasu et al.
COMPTES RENDUS GEOSCIENCE (2011)
Physico-Chemical Features of Aluminum Hydroxides As Modeled with the Hybrid B3LYP Functional and Localized Basis Functions
Raffaella Demichelis et al.
JOURNAL OF PHYSICAL CHEMISTRY C (2011)
Mechanical properties of magnetite (Fe3O4), hematite (α-Fe2O3) and goethite (α-FeO•OH) by instrumented indentation and molecular dynamics analysis
D. Chicot et al.
MATERIALS CHEMISTRY AND PHYSICS (2011)
Vibrational properties of MnO and NiO from DFT plus U-based density functional perturbation theory
A. Floris et al.
PHYSICAL REVIEW B (2011)
Mossbauer spectroscopy of clays, soils and their mineral constituents
E. Murad
CLAY MINERALS (2010)
Electronic, structural, and magnetic effects of 3d transition metals in hematite
Muhammad N. Huda et al.
JOURNAL OF APPLIED PHYSICS (2010)
Studies on the controllable transformation of ferrihydrite
Hui Liu et al.
JOURNAL OF SOLID STATE CHEMISTRY (2010)
Ordered ferrimagnetic form of ferrihydrite reveals links among structure, composition, and magnetism
F. Marc Michel et al.
PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA (2010)
Density-Functional Perturbation Theory for Quasi-Harmonic Calculations
Stefano Baroni et al.
THEORETICAL AND COMPUTATIONAL METHODS IN MINERAL PHYSICS: GEOPHYSICAL APPLICATIONS (2010)
Density Functional Theory Study of Ferrihydrite and Related Fe-Oxyhydroxides
Nathan Pinney et al.
CHEMISTRY OF MATERIALS (2009)
Effects of magnetic interactions in antiferromagnetic ferrihydrite particles
Thelma S. Berquo et al.
JOURNAL OF PHYSICS-CONDENSED MATTER (2009)
QUANTUM ESPRESSO: a modular and open-source software project for quantum simulations of materials
Paolo Giannozzi et al.
JOURNAL OF PHYSICS-CONDENSED MATTER (2009)
The structure of ferrihydrite, a nanocrystalline material
F. Marc Michel et al.
SCIENCE (2007)
Transformation of low crystalline ferrihydrite to α-Fe2O3 in the solid state
M. Ristic et al.
JOURNAL OF MOLECULAR STRUCTURE (2007)
Erratum: Composition, structure, and stability of RuO2(110) as a function of oxygen pressure [Phys. Rev. B 65, 035406 (2001)]
Karsten Reuter et al.
PHYSICAL REVIEW B (2007)
Thermal and mineral properties of Al-, Cr-, Mn-, Ni- and Ti-substituted goethite
MA Wells et al.
CLAYS AND CLAY MINERALS (2006)
Magnetic properties of synthetic six-line ferrihydrite nanoparticles
Y Guyodo et al.
PHYSICS OF THE EARTH AND PLANETARY INTERIORS (2006)
The transformation of ferrihydrite into goethite or hematite, revisited
Y Cudennec et al.
JOURNAL OF SOLID STATE CHEMISTRY (2006)
Two-step growth of goethite from ferrihydrite
DJ Burleson et al.
LANGMUIR (2006)
Formation and properties of a continuous crystallinity series of synthetic ferrihydrites (2-to 6-line) and their relation to FeOOH forms
U Schwertman et al.
CLAYS AND CLAY MINERALS (2004)
Thermodynamics of iron oxides:: Part III.: Enthalpies of formation and stability of ferrihydrite (∼Fe(OH)3), schwertmannite (∼FeO(OH)3/4(SO4)1/8), and ε-Fe2O3
J Majzlan et al.
GEOCHIMICA ET COSMOCHIMICA ACTA (2004)
Long-term in vitro transformation of 2-line ferrihydrite to goethite/hematite at 4, 10, 15 and 25°C
U Schwertmann et al.
CLAY MINERALS (2004)
The structure of six-line ferrihydrite
E Jansen et al.
APPLIED PHYSICS A-MATERIALS SCIENCE & PROCESSING (2002)
Absolute and approximate calculations of electron-energy-loss spectroscopy edge thresholds
DR Hamann et al.
PHYSICAL REVIEW LETTERS (2002)
Composition, structure, and stability of RuO2(110) as a function of oxygen pressure -: art. no. 035406
K Reuter et al.
PHYSICAL REVIEW B (2002)
All-electron magnetic response with pseudopotentials: NMR chemical shifts
CJ Pickard et al.
PHYSICAL REVIEW B (2001)
Quantification of aluminium coordinations in alumina and silica-alumina by AlK-edge XANES
Y Kato et al.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS (2001)
Local compressibilities in crystals
AM Pendás et al.
PHYSICAL REVIEW B (2000)
The effect of Al on Fe oxides.: XIX.: Formation of Al-substituted hematite from ferrihydrite at 25°C and pH 4 to 7
U Schwertmann et al.
CLAYS AND CLAY MINERALS (2000)