Many metal–organic frameworks (MOFs) incorporate nodes that are small metal oxide
clusters. Some of these MOFs are stable at high temperatures, offering good prospects as …

Calcium carbonate is a ubiquitous mineral that represents one of the most significant
biominerals, a major contributor to carbon sequestration through geological deposits, and a …

Our understanding of mineral and glass dissolution has advanced from simple
thermodynamic treatments to models that emphasize adsorbate structures. This evolution …

Density functional theory (DFT) calculations were used to investigate As (V) and As (III)
surface complex structures and reaction energies on both Mn (III) and Mn (IV) sites in an …

The binding of carboxylate-and acetylacetonate-linked chromophores to homodisperse
polyoxotitanate nanoclusters with 17 Ti atoms or more are surveyed and found to be limited …

Mineral growth and dissolution are often treated as occurring via a single reversible process
that governs the rate of reaction. We show that multiple distinct intermediate states can occur …

Molecular dynamics simulations show that the desolvation rates of isotopes of Li+, K+, Rb+,
Ca2+, Sr2+, and Ba2+ may have a relatively strong dependence on the metal cation mass …

Interfaces involving aqueous fluid phases play critical roles in natural and technologically
important systems, and the atomic scale differences between interfaces involving …

The structure of ferric iron (Fe3+) dimers in aqueous solutions has long been debated. In this
work, we have determined the dimer structure in situ in aqueous solutions using extended X …

The scientific community has always been fascinated by the properties of water and,
consequently, a number of investigations continue to address this ubiquitous fluid …