Projects

Develop fundamental surface science characterization data for use in improving mixed alcohol synthesis catalysts via Computational Investigation of Ethanol Synthesis from Biomass-derived Syngas Using Rh-based Catalysts

Lead Institution

Pacific Northwest National Laboratory

Principal Investigator

Shawn Kathmann

Project type

Exploratory Research

Novel catalyst design is essential and combined experimental and theoretical/computational catalysis can provide the essential mechanisms, influence of promoters, energetics, selectivity, and…

Cluster Model Studies of Condensed Phase Phenomena at Well-Defined Conditions

Lead Institution

Pacific Northwest National Laboratory

Principal Investigator

Xuebin Wang

Project type

Large-Scale EMSL Research

This program is aimed at obtaining a microscopic understanding of solution chemistry and condensed phase phenomena using gas phase clusters as model systems.Our current focus is on the microsolvation…

Mass Spectrometry Imaging of Microbial Communities

Lead Institution

University of California, San Diego

Principal Investigator

Pieter Dorrestein

Project type

Large-Scale EMSL Research

Despite our significant technological advancements, the solutions to many of humanities lingering problems such as bioremediation of toxic heavy metal environmental contaminants, creation of…

Bioinspired Electrocatalysts for Energy Storage and Production Reactions.

Lead Institution

Pacific Northwest National Laboratory

Principal Investigator

Wendy Shaw

Project type

Exploratory Research

Electrocatalysts can convert electrical energy into chemical bonds in fuels, such as H2. In the reverse reaction, electrocatalysts can use the fuel to generate electrical energy on demand. This…

Biogeochemical transformation of soil Fe- and Mn- mineral phases along a redox gradient: Implications for C sequestration

Lead Institution

University of Delaware

Principal Investigator

Donald Sparks

Project type

Large-Scale EMSL Research

Iron (Fe) and manganese (Mn) oxides, hydroxides and oxyhydroxides are well known redox-sensitive mineral components of environmental systems. Iron minerals in soils and sediments occur in a variety…

Reactivity of iron-bearing phyllosilicates with uranium and chromium through redox transitions zones

Lead Institution

Miami University

Principal Investigator

Hailiang Dong

Project type

Large-Scale EMSL Research

Iron-bearing phyllosilicate minerals are widely distributed and often account for about half of the iron in soils and sediments. They play an important role in environmental processes such as…

Enamel biomineralization: Solution- and solid-state NMR studies of a natural protein-mineral interfaces

Lead Institution

Pacific Northwest National Laboratory

Principal Investigator

Garry Buchko

Project type

Large-Scale EMSL Research

Dental enamel, the 1-2 mm layer of elongated carbonated hydroxayapatite on the outer layer of the tooth, is the hardest tissue in the human body. It needs to be strong because it is exposed to…

Horizontal Gene Transfer in Porous Media: A Real Time Microscopic Investigation

Lead Institution

University of Illinois at Urbana-Champaign

Principal Investigator

Thanh Nguyen

Project type

Large-Scale EMSL Research

Horizontal gene transfer is widespread among bacteria and is an important component of microbial evolution and trait dispersal. Specifically, gene transfer can create new metabolic capabilities, e.g…

Excitation and Desorption of Nano-crystalline ZrO2

Lead Institution

University College London

Principal Investigator

Alexander Shlyuger

Project type

Large-Scale EMSL Research

This project is focused on integrated theoretical and experimental studies of the interaction of light with nanoscale oxide materials of fundamental interest to the fields of photo-catalysis,…

Characterization of the affects of specialized acyl carrier proteins on unusual LPS-hydroxy fatty acids in Geobacter metallireducens

Lead Institution

Miami University

Principal Investigator

Theresa Ramelot

Project type

Large-Scale EMSL Research

Many bacteria have specialized acyl carrier proteins (ACPs) that are involved in synthesis of diverse lipopolysaccharides (LPS). Diversity within LPS aids in survival of Gram-negative bacteria in…

Atomic and electronic structures of interfaces of complex oxides

Lead Institution

Pacific Northwest National Laboratory

Principal Investigator

Petr Sushko

Project type

Large-Scale EMSL Research

Oxide interfaces, superlattices and solid solutions provide opportunities for generating materials with novel properties, providing the atomic structures of the interface and near interface regions…

Cryogenic Deuteron Solid-state NMR Spectroscopy of Ultra-low Barrier Rotors for "Inertial" Crystalline Molecular Machines Assembled via Metal-organic Frameworks

Lead Institution

University of California, Los Angeles

Principal Investigator

Miguel Garcia-Garibay

Project type

Exploratory Research

Condensed-phase artificial molecular machines are an extremely promising platform for the development of stimuli-responsive bulk materials. By choosing well-characterized molecular "parts"…

Effect of Re on W Grain Boundary Cohesion

Lead Institution

Pacific Northwest National Laboratory

Principal Investigator

Richard Kurtz

Project type

Exploratory Research

Due to its excellent mechanical and thermal properties, W receives a considerable attention as materials for divertor applications in advanced fusion reactors. However, its usage is critically…

Investigating NOy and Secondary Organic Aerosol Formation Chemistry in the Colorado Front Range: WRF/Chem Model Studies In Support of the Beachon 2011 Field Campaign

Lead Institution

Reed College

Principal Investigator

Juliane Fry

Project type

Exploratory Research

The chemistry of an urban plume interacting downwind with a high-monoterpene emitting forest, including particular focus on atmospheric particle formation, will be explored by a large, collaborative…

Investigating the Effects of Geologic CO2 Sequestration on Microbial Physiology, Metabolism and Functionality.

Lead Institution

Colorado State University

Principal Investigator

Michael Wilkins

Project type

Exploratory Research

The injection of greenhouse gases into deep geologic formations offers a promising strategy for reducing emissions into the atmosphere that contribute to global warming. The injection of CO2 as a…

Toward the chemical conversion of CO2: understanding the interaction of CO2 with model metal/metal-oxide systems

Lead Institution

Pacific Northwest National Laboratory

Principal Investigator

Janos Szanyi

Project type

Exploratory Research

Environmental concerns about the increasing level of atmospheric CO2, a major greenhouse gas component, have prompted research efforts in two major directions: sequestration and chemical conversion…

High Resolution Infrared Spectroscopy of Radialene

Lead Institution

Oregon State University

Principal Investigator

Joseph Nibler

Project type

Exploratory Research

The structures and physical properties of small organic strained-ring systems are of interest to both experimental and theoretical chemists. The objective of the proposed research is to apply high…

Multiscale Processes of Heteroepitaxial Nucleation and Growth at Mineral-Water Interfaces

Lead Institution

Pacific Northwest National Laboratory

Principal Investigator

Sebastien Kerisit

Project type

Exploratory Research

The goal of the proposed research is to elucidate the mechanisms and quantify the rates of heteroepitaxial nucleation and growth at mineral-water interfaces. Despite several examples of heteroepitaxy…

Light Source Photocathode Performance and Development

Lead Institution

Pacific Northwest National Laboratory

Principal Investigator

Wayne Hess

Project type

Exploratory Research

Accelerator photocathode technology must be advanced to meet the needs of fourth generation light sources. The ultimate output characteristics and cost of next-generation ultraviolet or x-ray…

Experimental and Computational Characterization of the Structure and Electronic Properties of Novel Porphyrins for Solar Cells

Lead Institution

Portland State University

Principal Investigator

Carl Wamser

Project type

Exploratory Research

The proposed project will be primarily computational studies carried out in collaboration with Dr. Niri Govind, Dr. Kenneth Lopata, and Dr. Karol Kowalski (PNNL/EMSL Molecular Science Computing). …