Combining theory and experiment in determining the surface chemistry of nanocrystals

A. S. Barnard; A. I. Kirkland

doi:10.1021/cm8001892

Combining theory and experiment in determining the surface chemistry of nanocrystals

A. S. Barnard, A. I. Kirkland

Research output: Contribution to journal › Article › peer-review

33 Citations (Scopus)

Abstract

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.

Original language	English
Pages (from-to)	5460-5463
Number of pages	4
Journal	Chemistry of Materials
Volume	20
Issue number	17
DOIs	https://doi.org/10.1021/cm8001892
Publication status	Published - 9 Sept 2008
Externally published	Yes

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10.1021/cm8001892

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Combining theory and experiment in determining the surface chemistry of nanocrystals

Abstract

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