Projects

NMR Studies of Mg+2 Intercalation Electrodes for Multivalent-Ion Batteries

Lead Institution

Argonne National Laboratory

Principal Investigator

Baris Key

Project type

Large-Scale EMSL Research

Lithium-ion batteries are currently the rechargeable battery systems of choice in any high energy density application. Existing materials are unable to keep up with the ever growing demands of the…

NMR structure determination of the cobalamin binding protein HgcA and the ferredoxin-like protein HgcB required for bacterial mercury methylation

Lead Institution

Oak Ridge National Laboratory

Principal Investigator

Alexander Johs

Project type

Large-Scale EMSL Research

Mercury is a pervasive global pollutant. Its methylated form, methylmercury, poses a substantial threat to human health. Methylation of mercury (Hg) by anaerobic bacteria is the primary source of…

Investigations on Behavior of Carbon-bearing Fluids Under Nanopore Confinement

Lead Institution

The Ohio State University

Principal Investigator

David Cole

Project type

Large-Scale EMSL Research

The overarching goal of this proposal is to obtain deeper insight into the behavior of low viscous energy resource fluids under confinement at solid interfaces. To achieve this goal we will (a)…

Structural Characterization of Lithium Rich Layered Transition Metal Oxide LMR-NMC type Cathodes for Li-ion Batteries: Experimental and Computational Approaches

Lead Institution

Argonne National Laboratory

Principal Investigator

Baris Key

Project type

Large-Scale EMSL Research

Lithium ion batteries are the rechargeable battery system of choice in any high energy density application such as power tools, mobile electronics and electric vehicles. New cathode chemistries, such…

Physiological and Molecular Mechanisms Controlling Altered Flowering Times at Elevated [CO2]

Lead Institution

University of Kansas

Principal Investigator

Joy Ward

Project type

Large-Scale EMSL Research

Shifts in flowering time in response to climate change can alter both the timing and amount of carbon that is cycling within ecosystems. Atmospheric CO2 concentration ([CO2]) has increased from 270…

How Dirigent Proteins Guide Assembly of Lignans and Lignin in Vascular Plants

Lead Institution

Washington State University

Principal Investigator

Norman Lewis

Project type

Large-Scale EMSL Research

Vascular plants use a class of proteins termed dirigent proteins (from Latin dirigere, to guide or steer) to direct the regio- and stereospecificity of radical-radical coupling reactions of…

Detailed Characterization of Particulates Emitted by Future High-Efficiency Vehicles

Lead Institution

University of Wisconsin, Madison

Principal Investigator

David Rothamer

Project type

Large-Scale EMSL Research

Current engine development aims to reduce consumption of limited fuel resources and reduce carbon dioxide emissions by increasing fuel efficiency. Advanced low temperature combustion technologies…

Towards understanding enzymatic diversity in biological lignin degradation

Lead Institution

National Renewable Energy Laboratory

Principal Investigator

Gregg Beckham

Project type

Large-Scale EMSL Research

Lignin is an alkyl-aromatic polymer comprising 15-30% of plant cell walls. It is underutilized in selective conversion processes to produce renewable fuels and chemicals from plant biomass, and is…

Secondary Organic Aerosol Formation Mechanisms and Growth Dynamics

Lead Institution

Pacific Northwest National Laboratory

Principal Investigator

Rahul Zaveri

Project type

Large-Scale EMSL Research

Recent theoretical and laboratory studies have revealed that the timescales of secondary organic aerosol (SOA) partitioning and the associated aerosol size distribution growth dynamics depend on the…

Stochastic methods for electronic structure and correlation in large molecular systems

Lead Institution

University of California, Los Angeles

Principal Investigator

Daniel Neuhauser

Project type

Large-Scale EMSL Research

Post Hartree-Fock (HF), fifth rung density functional theory (DFT), and many-body perturbation theory (MBPT) calculations are of importance for the estimation of observables dependent on correlation…

Quantifying the functional and structural states of dynamic microbial communities

Lead Institution

Pacific Northwest National Laboratory

Principal Investigator

James Fredrickson

Project type

Large-Scale EMSL Research

The overall goal of this proposal is to provide a quantitative framework in which to compare species-resolved patterns of gene expression, allowing comparison of the effects of perturbations of…

Understanding deactivation pathways in bio-oil upgrading with the use of in situ NMR and EPR techniques

Lead Institution

Pacific Northwest National Laboratory

Principal Investigator

Mariefel Olarte

Project type

Large-Scale EMSL Research

Biomass is the most readily available renewable source of liquid transportation fuel. According to DOE, fast pyrolysis followed by catalytic upgrading is projected to be the most cost effective among…

Development of Novel Chemical Architectures for Supercapacitor Electrolytes as New Energy Storage Materials using Computational Methods

Lead Institution

Los Alamos National Laboratory

Principal Investigator

Neil Henson

Project type

Large-Scale EMSL Research

This project proposes to use a number of state-of-the-art, highly parallelized computational chemistry tools in order to rationalize the structure and properties of the use of dendrimers as…

Sub Nanometer Sized Clusters for Heterogeneous Catalysis

Lead Institution

University of New Mexico

Principal Investigator

Abhaya Datye

Project type

Large-Scale EMSL Research

Providing sustainable sources of energy, chemicals, and materials is one of the most important long-term issues facing society. Catalysis plays a central role in creating sustainable sources of…

Evaluation of the Adaptation and Acclimation of Hypersaline Lithifying Microbial Mats to Salinity Disturbance in the Great Salt Lake Ecosystem

Lead Institution

Pacific Northwest National Laboratory

Principal Investigator

Stephen Callister

Project type

Large-Scale EMSL Research

Multiple capabilities at EMSL will be applied to mat microbial communities present along a salinity gradient between the North and South arms of the Great Salt Lake, UT. These lithifying microbial…

Multiscale Modeling for Hydrogenases

Lead Institution

Texas A&M University

Principal Investigator

Michael Hall

Project type

Large-Scale EMSL Research

Hydrogen is a clean-burning fuel with high energy density and has become a target as one ecological-friendly fuel for the future. Hydrogenase proteins catalyze the reversible conversion of molecule…

Impact of phase state and viscosity of organic aerosol particles on the reactive uptake of carbonyls in secondary organic aerosol (SOA) formation

Lead Institution

Harvard University

Principal Investigator

Scot Martin

Project type

Large-Scale EMSL Research

Secondary organic aerosol (SOA) is a major constituent of submicron atmospheric aerosol particles, whose effects on climate and human health remain highly uncertain. Until very recently SOA particles…

Characterization of sources from intermediate-scale field lysimeter studies of plutonium vadose zone transport

Lead Institution

Clemson University

Principal Investigator

Brian Powell

Project type

Large-Scale EMSL Research

The objectives of this work are to develop qualitative conceptual models and quantitative reactive transport models of plutonium migration in unsaturated zones (i.e. the vadose zone). The unique…

Identifying the key organisms, pathways and locations of lignocellulosic biomass transformation and hydrogen production in wood-feeding Passalid beetles

Lead Institution

Lawrence Berkeley National Laboratory

Principal Investigator

Eoin Brodie

Project type

Large-Scale EMSL Research

Passalid beetles, such as Odontotaenius disjunctus, are subsocial insects that process large amounts of woody biomass by feeding on triturated wood. These beetles have co-evolved with their digestive…

Is the mobilization of sedimentary phosphorus a key player for sustaining eutrophication in the Chesapeake Bay?

Lead Institution

University of Delaware

Principal Investigator

Deb Jaisi

Project type

Large-Scale EMSL Research

With the rise of coastal dead zones, oxygen-dependent feedback effects on phosphorus (P) cycling in coastal environments will play more important roles globally. Proposed research will employ…