Projects

Characterization Polymer Thin Films and Arrays

Lead Institution

Portland State University

Principal Investigator

Mingdi Yan

Project type

Exploratory Research

Our research at Portland State University focuses on surface chemistry and molecular imprinting. One particular area of interest is the fabrication of polymer thin film arrays that possess molecular…

Fabricate Nanoscale Thin Film Cathode with Sputter Deposition

Lead Institution

University of Washington

Principal Investigator

Yunxiang Lu

Project type

Exploratory Research

The objective of this project is 1) to fabricate nanoscale thin film cathode with sputtering and pulsed laser deposition techniques with well defined electrode geometry, 2) study transient electrode…

Computer Simulation of Radiation Effects in Zircon

Lead Institution

Pacific Northwest National Laboratory

Principal Investigator

Ram Devanathan

Project type

Exploratory Research

Zircon is an extremely durable mineral proposed as a crystalline host for the disposal of high actinide waste forms. In order to minimize the release of actinides to the environment, it is essential…

Computer Simulation of Radiation Effects in Zircon

Lead Institution

Pacific Northwest National Laboratory

Principal Investigator

Ram Devanathan

Project type

Exploratory Research

Zircon is an extremely durable mineral proposed as a crystalline host for the disposal of high actinide waste forms. In order to minimize the release of actinides to the environment, it is essential…

Steam Reforming of Methanol over Highly Active and Selective Pd/ZnO Catalyst

Lead Institution

Pacific Northwest National Laboratory

Principal Investigator

Robert Dagle

Project type

Exploratory Research

Pd/ZnO catalysts are currently being investigated for steam reforming of methanol. Unlike precious metal-based catalysts, Pd/ZnO catalysts not only exhibited high activity, but more importantly very…

Mechanisms for Self Healing in Gastropods: Lessons From Biology, a Case Study of Two Species, Lavigeria grandis and Nucella lamellosa

Lead Institution

University of Washington

Principal Investigator

Karen Hinkley

Project type

Exploratory Research

In materials engineering, designs for materials are made to suit specific purposes, as a living organism evolves to fill a nitch in an ecosysytem. Unlike the biological world, materials cannot…

Characterization of Iron Sulfide Mineral Phases Associated with the Reductive Sequestration of Technetium

Lead Institution

Oregon Health & Science University

Principal Investigator

Paul Tratnyek

Project type

Large-Scale EMSL Research

Under reducing conditions, TcO4- is readily reduced to TcIV, which forms highly insoluble oxides such as TcO2-nH2O, but (re)oxidation of TcIV oxides can lead to remobilization. Under sulfidogenic…

Formation and Decomposition of Cerium-Based Nitrate Species

Lead Institution

University of Waterloo

Principal Investigator

William Epling

Project type

Large-Scale EMSL Research

We propose to study the effects of CO2 and H2O, two key diesel exhaust components, on the stability of nitrates bound to ceria on a Pt/Ce/Al2O3 catalyst. Commercial NOX storage/reduction (NSR)…

Measure fluorescence spectra from LiF film

Lead Institution

Pacific Northwest National Laboratory

Principal Investigator

Mark Murphy

Project type

Exploratory Research

Fluorescence spectra from a LiF film developed at PNNL was measured and found to exhibit peaks in the green, red and infrared. These color centers have been found to perform well in uses for high…

NOx Adsorber Materials: Fundamental Studies, and Investigations of Sulfur Poisoning and Thermal Deactivation

Lead Institution

Pacific Northwest National Laboratory

Principal Investigator

Charles Peden

Project type

Large-Scale EMSL Research

Catalysits systems related to automotive exhaust control will be investigated. Specifically, the focus will be on catalysts that are important in lean NOx emission control (NOx storage/reduction …

A Waste Form Based Upon Goethite [alpha-Fe(III) O . OH] and Strengite [Fe(III)PO4 . 2H2O]

Lead Institution

Pacific Northwest National Laboratory

Principal Investigator

R. Serne

Project type

Large-Scale EMSL Research

The objective of this research effort is the development of a waste form that will sequester Tc and I in a matrix that will be resistant to leaching. Goethite (alpha-Fe(III)O . OH) is a low…

Role of Surface and Interface on Transport Properties in Nanoscale Conducting Oxides

Lead Institution

University of South Carolina

Principal Investigator

Xiao-dong Zhou

Project type

Large-Scale EMSL Research

Size-dependent (~50 nm) chemical and physical properties of electronic materials have been attributed to primarily either intrinsic contributions, such as changes in the lattice energy and discrete…

Structural Characterization and Interactions of Conformationally Heterogeneous States of Biomolecules

Lead Institution

Universidade Federal de Pernambuco

Principal Investigator

Thereza Soares Da Silva

Project type

Large-Scale EMSL Research

This proposal seeks computational resources for the application of long-scale and enhanced sampling techniques to characterize the inherently flexible and conformationally highly heterogeneous…

Field effect studies of CoxTi1-xO2 thin films

Lead Institution

Yale University

Principal Investigator

Jeng-Bang Yau

Project type

Exploratory Research

Co doped TiO2 is a dilute magnetic oxide semiconductor that is potentially promising for spintronics device applications. The ferromagnetism of CoxTi1-xO2 is believed to be mediated by the doped…

High-Throughput Structure Determination of Proteins and Protein Complexes

Lead Institution

Rutgers University

Principal Investigator

Gaetano Montelione

Project type

Large-Scale EMSL Research

The Northeast Structural Genomics Consortium (NESGC, www.nesg.org) is one of four large protein structure production centers supported by the NIH Protein Structure Initiative II (the PSI II). The…

Optimization of peptide identification from tandem mass spectral data

Lead Institution

Pacific Northwest National Laboratory

Principal Investigator

William Cannon

Project type

Exploratory Research

Determining the correct sequence of amino acids for a peptide starting with MS/MS spectral data can be stated as an optimization problem where the objective is to match an experimental spectrum with…

Benchmarking Localized Coupled Cluster methods in the NWchem package

Lead Institution

University of Waterloo

Principal Investigator

Martinus Nooijen

Project type

Exploratory Research

Using the Tensor Contraction Engine developed by Dr. So Hirata we have implemented a localized coupled cluster approach in NWchem. The present and near-future capabilities of this implementation …

Characterization of Surface Supported Organometallic Olefin Polymerization Catalysts by High Field Solid-State Multi-Nuclear Magnetic Resonance

Lead Institution

University of Windsor

Principal Investigator

Robert Schurko

Project type

Large-Scale EMSL Research

Metallocenes are a class of compounds which contain main group or transition metal elements bound to one or more cyclopentadienyl ligands (Cp). The "metallocene revolution" has been used…

Quantum Mechanical and Molecular Mechanical Methods for Iron-Sulfur Proteins

Lead Institution

Texas A&M University

Principal Investigator

Shuqiang Niu

Project type

Exploratory Research

Iron-sulfur proteins are essential in bioenergetics, including respiration, photosynthesis, nitrogen fixation, and hydrogen production and thus are prime candidates for bioengineering or biomimetic…

Measuring nanometer distances in the packaging RNA using Double Electron-Electron Resonance.

Lead Institution

University of Southern California

Principal Investigator

Peter Qin

Project type

Exploratory Research

In this renewal application we request to continue to use the pulsed EPR spectrometer at EMSL. We will use the instrument to measure nanometer distances in a complex of the packaging RNA (pRNA),…