Combining theory and experiment in determining the surface chemistry of nanocrystals

The development of future generation catalysts and fuel cells based on oxide nanostructures is dependent upon our ability to control the size, shape, and surface chemistry of individual particles. It is currently not possible to characterize the surface of substantial numbers of oxide nanocrystals w...

Szczegółowa specyfikacja

Opis bibliograficzny
Główni autorzy: Barnard, A, Kirkland, A
Format: Journal article
Język:English
Wydane: 2008
Opis
Streszczenie:The development of future generation catalysts and fuel cells based on oxide nanostructures is dependent upon our ability to control the size, shape, and surface chemistry of individual particles. It is currently not possible to characterize the surface of substantial numbers of oxide nanocrystals within large scale samples using exclusively experimental methods. In this paper, we outline a combined methodology for partnering advanced imaging techniques, to provide local experimental structural information, with multiscale computer modeling, to identify the terminal (surface) atomic layer, and apply this technique to the case of CeO2 nanoparticles. © 2008 American Chemical Society.