Projects

The Reduction of Uranyl and Chromate to Insoluble species by Green Rust and other ferrous hydroxide surfaces.

Lead Institution

Corning, Inc.

Principal Investigator

James Rustad

Project type

Exploratory Research

Electron transfer reactions play an important role in determining the fate of many environmental contaminants. Reduction from high-oxidation state (+5/+6), where the metal is stabilized in solution…

The Role of Algae and Bacteria from Berkeley Pit Lake in Metal Sorption Processes

Lead Institution

University of Montana

Principal Investigator

Daniela Bocioaga

Project type

Exploratory Research

The Berkeley Pit lake system, located in Butte, Montana is an abandoned open-pit mine and part of the largest Superfund site in the United States. Flooding with underground water associated with acid…

Outer-Sphere Electron Transfer Kinetics of Metal Ion Oxidation by Molecular Oxygen

Lead Institution

California Institute of Technology

Principal Investigator

James Morgan

Project type

Exploratory Research

Density functional theory molecular orbital calculations and Marcus theory will be combined to assess the rates and physicochemical factors controlling the outer-sphere oxidation of divalent V, Cr,…

Critical point properties of electron density distributions in high-pressure mineral phases.

Lead Institution

Virginia Polytechnic Institute

Principal Investigator

Nancy Ross

Project type

Exploratory Research

Density functional theory molecular orbital calculations will be used to compute the electron density distributions and their critical point properties of hydrous mineral phases associated with deep…

Develop fundamental surface science characterization data for use in improving mixed alcohol
synthesis catalysts

Lead Institution

Pacific Northwest National Laboratory

Principal Investigator

Shawn Kathmann

Project type

Exploratory Research

This project will develop basic information about the surface and bulk nature of various mixed alcohol synthesis catalysts in succsive states, oxide, reduced and used. This information will combine…

Ion-beam-induced structural changes in compound semiconductors studied by advanced electron microscopy

Lead Institution

Osaka University

Principal Investigator

Manabu Ishimaru

Project type

Exploratory Research

Radiation effects in solids are one of the important issues in the research fields ranging from microelectronics devices to nuclear fusion reactors. In particular, irradiation-induced amorphization…

Examination of nanoC60 aggregates through dialysis membranes as surrogates for cell membrane diffusion

Lead Institution

Washington State University Tri-Cities

Principal Investigator

Allan Felsot

Project type

Exploratory Research

Abstract Once the production of Fullerenes became prevalent in the 1990s, Fullerene Chemistry was able to discover multiple properties about buckyballs. Every carbon atom develops a bond to three…

Mechanistic understanding of zeolite deactivation pathways

Lead Institution

Caterpillar, Inc.

Principal Investigator

Joshua Ratts

Project type

Exploratory Research

Three zeolite powders (Fe-MFI, Cu-MFI, and Fe-BEA) commonly used in SCR NOx reduction will be hydrothermally aged in air using a variety of temperatures, aging times and water concentrations in a…

The Measurements for Nano-tip'ID

Lead Institution

Environmental Molecular Sciences Laboratory

Principal Investigator

Rui Zhao

Project type

Exploratory Research

To find the best way for pull the nano-tip using P-2000 Micropipette Puller Capillary ID: 30um and 50um Conditions: With water and Without water.

Ab initio calculations of GTP hydrolysis by using NWChem and TAO components

Lead Institution

Iowa State University

Principal Investigator

Theresa Windus

Project type

Exploratory Research

As part of the Common Component Architecture (CCA) project funded by the U. S. Dept. of Energy (DOE) under the Scientific Discovery through Advanced Computing (SciDAC) program, we are developing…

Image iron oxide nanoparticles

Lead Institution

Harvard University

Principal Investigator

Gary Holtom

Project type

Exploratory Research

Small particles (50-300 nm) particles of various iron oxides have been synthesized. These tend to aggregate and we would like to learn the size distribution of the particles and, if possible, if…

DC-1 Molecular & Bio imprinting

Lead Institution

Pacific Northwest National Laboratory

Principal Investigator

Xiaohong Li

Project type

Exploratory Research

Employ whole cells (bacterial) as templates to create complementary polymer surface. Prepare polymer beads with spatially-defined, highly functional patches of size and shape corresponding exactly…

Local motions in protein structures

Lead Institution

Technische Universität München

Principal Investigator

Edward Schlag

Project type

Exploratory Research

For some years we have been involved in the question of a model for charge transport in peptides. We obtained unusual results for which we have proposed a new theory in 1995 which assigns special…

Hi-resolution infrared spectroscopy of nitrogen dioxide and water.

Lead Institution

NASA Langley Research Center

Principal Investigator

Mary Smith

Project type

Exploratory Research

Perform hi-resolution infrared spectroscopy of nitrogen dioxide (NO2) using a short path cell (1, 10, or 20 cm) and the Bruker IFS 120HR Fourier transform spectrometer located in EMSL 1130. …

High resolution infrared spectroscopy of methane.

Lead Institution

Jet Propulsion Laboratory

Principal Investigator

Linda Brown

Project type

Exploratory Research

Conduct hi-resolution infrared spectroscopy of methane using the 200 meter White cell and the Bruker IFS 120HR Fourier transform spectrometer located in EMSL 1130. Rotationally resolved spectra of…

Gas Chromatography of Solvent Extracted Organo-Phosphorous Compounds from Soils (related to Surface Reflectance Spectroscopy PNNL Scope # 43865)

Lead Institution

Pacific Northwest National Laboratory

Principal Investigator

James Kelly

Project type

Exploratory Research

This work will involve performing chromatography of organic and organo-phosphorous compound that were extracted from soil samples using a solvent extractor. Note - most reflectance data taken in…

ELECTRONIC STRUCTURE CALCULATIONS OF HYDROGEN BONDING IN BIOLOGICAL MACROMOLECULES

Lead Institution

University of Washington

Principal Investigator

David Baker

Project type

Exploratory Research

Hydrogen bonding interactions play a crucial role in stabilizing native protein conformations, and in determining specifity and stability of protein-ligand docked complexes. In force field…

ELECTRONIC STRUCTURE CALCULATIONS OF HYDROGEN BONDING IN BIOLOGICAL MACROMOLECULES

Lead Institution

University of Washington

Principal Investigator

David Baker

Project type

Exploratory Research

Hydrogen bonding interactions play a crucial role in stabilizing native protein conformations, and in determining specifity and stability of protein-ligand docked complexes. In force field…

Silicon carbide nanowires and nanospings: processing, self-assembly, characterization, and propertie

Lead Institution

University of Idaho

Principal Investigator

Daqing Zhang

Project type

Exploratory Research

One-dimensional nanowires are increasingly attracting attention in scientific and technological communities because of their versatile novel electrical, optical and mechanical properties. Their…

2-D photonic crystals grown by atomic layer deposition for near IR and visible optoelectronics applications

Lead Institution

University of Idaho

Principal Investigator

Daqing Zhang

Project type

Exploratory Research

In this proposal we outline a research program to develop a process for constructing two dimensional (2-D) photonic crystals for optoelectronic applications in the IR and UV range. The first phase of…