Jörgen Rosenqvist

TL;DR: The kinetics of proton and water exchange on aqueous AlIII, coupled with Car-Parrinello simulations, support a five-coordinate Al(H2O)4OH2+ ion as the predominant form of AlOH(aq)2+ under ambient conditions, which contrasts AlIII with other trivalent metal aqua ions, for which there is no evidence for stable pentacoordinate hydrolysis products.

TL;DR: In this paper, the diffusion dynamics of hydration water in nanopowder rutile (TiO2) and cassiterite (SnO2), which possess the same crystal structure with the (110) crystal face predominant on the surface, were analyzed using time-of-flight and backscattering neutron spectrometers.

TL;DR: In this paper, a synthetic gibbsite was prepared and thoroughly characterized using X-ray diffraction, high-resolution transmission electron microscopy, atomic force microscopy and Fourier transform infrared technology.

TL;DR: The detailed solvation structure at the (110) surface of rutile (alpha-TiO2) in contact with bulk liquid water has been obtained primarily from experimentally verified classical molecular dynamics simulations of the ab initio-optimized surface and results are used to explicitly quantify H-bonding interactions, which are then used within the refined MUSIC model framework to predict surface oxygen protonation constants.

TL;DR: This work is concerned with the adsorption of o-phthalate (1,2-benzenedicarboxylate) at the water-metal (hydr)oxide interface, and identifies bonding mechanisms, stoichiometries, and stabilities of the formed complexes, and comparing these among the three systems.