Skip to main content

Electronic structure determination on mineral surfaces

EMSL Project ID
1443a
Award DOI
https://dx.doi.org/10.46936/genr.proj.2003.1443a/60001897

Abstract

Periodic and cluster electronic structure calculations will be jointly performed on pyrite and galena surfaces to elucidate the energetics of indirect interactions between adsorbates and surface sites.

Project Details

Project type
Exploratory Research
Start Date
2003-03-06
End Date
2004-03-09
Status
Closed
Released Data Link
https://search.emsl.pnnl.gov/?project_id_search=1443a

Team

Principal Investigator

Udo Becker
Institution
University of Michigan

Team Members

Kevin Rosso
Institution
Pacific Northwest National Laboratory

Related Publications

Becker U, and KM Rosso. 2003. "Advances in Oxide and Sulfide Mineral Surface Chemistry." Geochimica et Cosmochimica Acta 67(5):797.
Becker U, KM Rosso, R Weaver, M Warren, and MF Hochella Jr.. 2003. "Metal Island Growth and Dynamics on Molybdenite Surfaces." Geochimica et Cosmochimica Acta 67(5):923-934.
Rosso KM, and U Becker. 2003. "Proximity Effects on Semiconducting Mineral Surfaces II: Distance Dependence of Indirect Interactions." Geochimica et Cosmochimica Acta 67(5):941-953.