Article ID | Journal | Published Year | Pages | File Type |
---|---|---|---|---|
220813 | Journal of Electroanalytical Chemistry | 2007 | 11 Pages |
Abstract
Self-consistent tight binding molecular dynamics studies of TiO2 anatase and rutile nanoclusters in dissociable water are reported. It is found that the structure of the particle expands as a result of interaction between the particle’s surface and water. Water molecules dissociate at the nanoparticle surface during simulation.
Related Topics
Physical Sciences and Engineering
Chemical Engineering
Chemical Engineering (General)
Authors
Serkan Erdin, You Lin, J.W. Halley, Peter Zapol, Paul Redfern, Larry Curtiss,