Structure and dynamics of water at interfaces: "Surfing" waterdroplets and ice formation


Angelos Michaelides, Thomas Young Centre, University College London, UK

Water/solid interfaces are relevant to a broad range of physicochemical phenomena and technological processes such as corrosion, lubrication, heterogeneous catalysis and electrochemistry (Nature Mater 11, 667 (2012)). In this talk some of our recent computer simulation work in this area will be covered. Specifically results on water droplet diffusion on the surfaces of layered materials will be presented and a novel "surfing" mechanismor droplet diffusion discussed (Nature Mater, in press). In addition, simulations of ice nucleation on various nanoparticles with different physiochemical characteristics will be presented and the fundamental insight obtained from these into heterogeneous ice nucleation discussed (J. Am. Chem Soc., in press). Time permitting some recent ab initio molecular dynamics results at wet interfaces in which rapid proton transfer is observed will also be discussed.

Montag, 16. November 2015, 17:30 Uhr

Technische Universität Wien
1040 Wien, Wiedner Hauptstr. 8-10

Hörsaal 5
Turm A (grüner Bereich), 2. Stock