Skip to main content

David Dixon

Institution
University of Alabama
ORCID
ORCID logo 0000-0002-9492-0056

Projects

Studies on 1,2,3-trichloropropane (TCP) and its derivatives

Lead Institution
Pacific Northwest National Laboratory
Principal Investigator
Eric Bylaska
Project type
Large-Scale EMSL Research
The widespread use of 1,2,3-trichloropropane (1,2,3-TCP) as solvents in paint and varnish removal, cleaning and degreasing, etc. has resulted in it becoming an emerging pollutant in the environment …

Understanding Water Splitting on Model Mixed Metal Oxide Photocatalysts

Lead Institution
Pacific Northwest National Laboratory
Principal Investigator
Michael Henderson
Project type
Large-Scale EMSL Research
There is a need for new fundamental insights into photocatalytic water splitting particularly how to design catalyst systems that extend the catalytic and photocatalytic functionalities of simple…

(GC-2) Computational Thermochemistry and Benchmarking of Reliable Methods

Lead Institution
Pacific Northwest National Laboratory
Principal Investigator
David Feller
Project type
Capability Research
There is a critical need for thermodynamic data in the design of energy efficient processes in the chemical industry, as well as at U.S. Department of Energy (DOE) sites that are safe and have…

(GC8)Computational Studies in Molecular Geochemistry and Biogeochemistry

Lead Institution
Pacific Northwest National Laboratory
Principal Investigator
Herman Cho
Project type
Capability Research
The ability to predict the transport and transformations of contaminants within the subsurface is critical for decisions on virtually every waste disposal option, from remediation technologies such…

(GC8)Computational Studies in Molecular Geochemistry and Biogeochemistry

Lead Institution
Pacific Northwest National Laboratory
Principal Investigator
Herman Cho
Project type
Capability Research
The ability to predict the transport and transformations of contaminants within the subsurface is critical for decisions on virtually every waste disposal option, from remediation technologies such…

Mineral Reactivity and Transformations in Adsorbed Water Films

Lead Institution
Pacific Northwest National Laboratory
Principal Investigator
John Loring
Project type
Large-Scale EMSL Research
Transformations of minerals covered in thin films of adsorbed H2O are ubiquitous in nature and occur under unique chemical and physical constraints. But in contrast to bulk aqueous systems,…

(gc3565)Reliable Electronic Structure Prediction of Molecular Properties

Lead Institution
University of Alabama
Principal Investigator
David Dixon
Project type
Capability Research
The area of environmental chemical science is dominated by issues of scaling in space and time. The goal of environmental science is to understand the current state of the environment based on our…

Influence of Adsorbed Organic Acids on Soil Mineral Wettability

Lead Institution
Pacific Northwest National Laboratory
Principal Investigator
John Loring
Project type
Large-Scale EMSL Research
Soil wettability is dictated by the extent to which hydrophilic mineral surfaces are covered by hydrophobic soil organic carbon (SOC) from bacterial decomposition, decaying plant matter, or root…

Reliable Electronic Structure Prediction of Molecular Properties

Lead Institution
Pacific Northwest National Laboratory
Principal Investigator
Sotiris Xantheas
Project type
Capability Research
The field of environmental science is dominated by issues of scaling in space and time. The goal of environmental science is to understand the current state of the environment based on our knowledge…

NMR for Catalyst Studies

Lead Institution
Pacific Northwest National Laboratory
Principal Investigator
Charles Peden
A detailed understanding of the mechanisms involved in a catalytic reaction requires that we identify the nature of the active sites and of reaction intermediates, and that we probe dynamic processes…

Computational Studies of Catalyzed Chemical Transformations of Biomass

Lead Institution
University of Alabama
Principal Investigator
David Dixon
Project type
Large-Scale EMSL Research
There is a critical need to develop new, renewable sources of energy as well as feedstocks for the chemical industry. Biomass is a carbon neutral source of energy and can also address issues related…

Computational Design of Materials for Hydrogen Storage

Lead Institution
University of Iceland
Principal Investigator
Hannes Jonsson
Project type
Capability Research
We will carry out a series of theoretical calculations related to the storage of hydrogen in condensed matter for mobile applications. The principal goals of the study are to: A. Identify…

13C NMR Investigation of Occluded Carbonate in Aluminum (Oxy)Hydroxides.

Lead Institution
Umea University
Principal Investigator
Jean-Francois Boily
Project type
Large-Scale EMSL Research
We outline a plan to monitor the occlusion of carbonate in minerals under well-controlled systems. This study builds upon ongoing work currently funded by the Office of Basic Energy Science,…