Journal article
Determination of Shape-Reactivity Relationships in Al- Nanoclusters
Journal of physics. Conference series, Vol.750(1), pp.012007/1-012007/8
09/01/2016
DOI: 10.1088/1742-6596/750/1/012007
Abstract
First-principles modeling of reactive materials offers a means of developing molecular- level understanding of adsorption processes. Geochemical surface science is in need of conceptual understanding of what substrate properties govern reactivity. Here, we review and expand upon some of our density functional theory modeling studies of ion adsorption on giant polyaluminum cation species. Where appropriate, we relate our findings to experimental information, and aim to generalize our results to enable future predictions.
Details
- Title: Subtitle
- Determination of Shape-Reactivity Relationships in Al- Nanoclusters
- Creators
- Sara E Mason - University of Iowa Department of Chemistry, Iowa City, Iowa 52242, USAKatie W Corum - University of Iowa Department of Chemistry, Iowa City, Iowa 52242, USAJennifer L Bjorklund - University of Iowa Department of Chemistry, Iowa City, Iowa 52242, USA
- Resource Type
- Journal article
- Publication Details
- Journal of physics. Conference series, Vol.750(1), pp.012007/1-012007/8
- DOI
- 10.1088/1742-6596/750/1/012007
- ISSN
- 1742-6588
- eISSN
- 1742-6596
- Publisher
- IOP Publishing
- Number of pages
- 8
- Language
- English
- Date published
- 09/01/2016
- Academic Unit
- Chemistry
- Record Identifier
- 9984216693002771
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