Ab Initio Determination of Edge Surface Structures for Dioctahedral 2:1 Phyllosilicates: Implications for Acid-Base Reactivity

By B. Bickmore, K. Rosso, K. L. Nagy, R. Cygan, C. Tadanier. 2003

151 citations recorded by the source corpus.

Subfields: Inorganic Chemistry, Materials Chemistry, Organic Chemistry

View Paper: https://www.semanticscholar.org/paper/573f3d09e77b0b0ac1f83879ee963485171e5c02

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Citations in the corpus

• Kinetic stability of hematite nanoparticles: the effect of particle sizes (2008, background): “Bickmore et al. (2003) pointed out that changes in the coordination environment of surface atoms can generate increased reactivity due to the sensitivity of the under- or over- saturation of available electron density to metal-oxygen bond distances.”
• Water and ions in clays: Unraveling the interlayer/micropore exchange using molecular dynamics (2007, methodology): “Clay edges have first been investigated using ab-initio simulations, with the focus on structure and acidity of edges sites [Bickmore et al., 2003, Churakov, 2006].”