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A Comparative Study of Unrelaxed Surfaces on Quartz and Kaolinite, Using the Periodic Density Functional Theory

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What this work says

Outgoing claims: the papers this work cites, builds on, or argues with.

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Effects of Phospholipid Surfactant on Apoptosis Induction by Respirable Quartz and Kaolin in NR8383 Rat Pulmonary Macrophages

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Single crystal cleavage of brittle materials

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The electronic structure of h.c.p. Ytterbium

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Surface states of pristine silica surfaces

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Electronic structure of clean insulating oxide surfaces I. A numerical approach

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The surface chemistry of crushed quartz dust in relation to its pathogenicity

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The impact of twinning on the morphology of γ-Al(OH)3 crystals

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Ab initio cluster calculations of silica surface sites

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Piezoelectric properties of quartz and cristobalite airborne particulates as a cause of adverse health effects

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Upper Limit of the O−H···O Hydrogen Bond. Ab Initio Study of the Kaolinite Structure

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Ab Initio Molecular Dynamics Study of Adsorption Sites on the (001) Surfaces of 1:1 Dioctahedral Clay Minerals

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Bonding Properties of the Water Dimer: A Comparative Study of Density Functional Theories

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Reconstruction of Pristine and Hydrolyzed Quartz Surfaces

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Surface and interfacial free energies of quartz

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Physico-Chemical Properties of Silica in Relation to its Toxicity

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ESR evidence for the hydroxyl radical formation in aqueous suspension of quartz particles and its possible significance to lipid peroxidation in silicosis

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Polymorphism in silica studied in the local density and generalized-gradient approximations

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Norm-conserving and ultrasoft pseudopotentials for first-row and transition elements

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Special points for Brillouin-zone integrations

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Soft self-consistent pseudopotentials in a generalized eigenvalue formalism

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Atoms, molecules, solids, and surfaces: Applications of the generalized gradient approximation for exchange and correlation

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Ab initio molecular dynamics for open-shell transition metals

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Erratum: Atoms, molecules, solids, and surfaces: Applications of the generalized gradient approximation for exchange and correlation

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Improved tetrahedron method for Brillouin-zone integrations

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First-principles molecular-dynamics study of the (0001) α−quartz surface

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Mechanisms for Silanol Formation on Amorphous Silica Fracture Surfaces

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What makes silica toxic?

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A novel type of active site at the surface of crystalline SiO2 (a-quartz) and its possible impact on pathogenicity

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Freshly Fractured Quartz Inhalation Leads to Enhanced Lung Injury and Inflammation. Potential Role of Free Radicals

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Chemical Functionalities at the Silica Surface Determining its Reactivity when Inhaled. Formation and Reactivity of Surface Radicals

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Handbook of Infrared Optical Materials

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Hydroxyl-Stretching Bands in Polarized Micro-Raman Spectra of Oriented Single-Crystal Keokuk Kaolinite

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Verification of the Triclinic Crystal Structure of Kaolinite

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Rietveld Refinement of the Kaolinite Structure at 1.5 K

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Orientation of OH groups in kaolinite and dickite: Ab initio molecular dynamics study

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Dissolution of gibbsite: Direct observations using fluid cell atomic force microscopy

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A model of surface site types on oxide and silicate minerals based on crystal chemistry; implications for site types and densities, multi-site adsorption, surface infrared spectroscopy, and dissolution kinetics

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Determination of Free Silica in Dust Particles: Effect of Particle Size for the X-Ray Diffraction and Phosphoric Acid Methods.

What points at this work

Incoming claims: where this work appears in other papers’ reference lists and arguments.

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Kaolinite: Defect defined material properties – A soft X-ray and first principles study of the band gap

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Crystal face dependent wettability of α-quartz: Elucidation by time-of-flight secondary ion mass spectrometry techniques combined with molecular dynamics

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Insights into the desilication mechanism of goethite by anionic reverse flotation from hydroxyl role

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Quantifying the correlation between surface energy and broken bond density: Impacts of crystal plane electrical properties and bond valence on mineral cleavage and fracture

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Surface sites and unrelaxed surface energies of tetrahedral silica polymorphs and silicate

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Adsorption mechanism of H2O/oleate on α-quartz (101) surface with Al and Fe impurities/cations: DFT study and experimental verification

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Simple bond energy approach for non-destructive measurements of the fracture toughness of brittle materials

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Unveiling the Variability of “Quartz Hazard” in Light of Recent Toxicological Findings

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A New Hypothesis for the Dissolution Mechanism of Silicates

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Pauling's third rule beyond the bulk: chemical bonding at quartz-type GeO 2 surfaces

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Cytotoxicity of fractured quartz on human macrophages: role of the membranolytic activity of quartz and phagolysosome destabilization.

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