Issue 42, 2009

Advances in atomistic simulations of mineral surfaces

Abstract

Mineral surfaces play a prominent role in a broad range of geological, environmental and technological processes. Understanding their precise atomic structure, their interaction with the aqueous environment or organic molecules, and their reactivity is of crucial importance. In a context where, unfortunately, very often, experiments are either difficult to carry out or to interpret, atomistic numerical simulations may provide unique and complementary information. In the last decade, they have largely benefited from the huge increase of computational resources, which makes it timely to summarize recent advances made in this field.

Graphical abstract: Advances in atomistic simulations of mineral surfaces

Article information

Article type
Feature Article
Submitted
20 Feb 2009
Accepted
12 May 2009
First published
25 Jun 2009

J. Mater. Chem., 2009,19, 7807-7821

Advances in atomistic simulations of mineral surfaces

P. Geysermans and C. Noguera, J. Mater. Chem., 2009, 19, 7807 DOI: 10.1039/B903642C

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