Projects

Ab initio molecular dynamics study of the hydrogen oxidation mechanism by Ni-based catalysts

Lead Institution

Pacific Northwest National Laboratory

Principal Investigator

Simone Raugei

Project type

Exploratory Research

Abstract. Recent advances in transition-metal-based bio-inspired catalysts obtained in the Energy Frontier Research Center (EFRC) on "Molecular Electrocatalysis" (PI: Dr. Morris Bullock,…

Metal-blacks for plasmonic enhancement of solar-cell efficiency

Lead Institution

University of Central Florida

Principal Investigator

Robert Peale

Project type

Large-Scale EMSL Research

Metal-blacks are nano-structured porous metal films that have potential to enhance the efficiency of thin film solar cells via transverse scattering and concentration of the incident electromagnetic…

Proteomic Analysis of Model Metal-reducing Microbial Communities

Lead Institution

Oak Ridge National Laboratory

Principal Investigator

Dwayne Elias

Project type

Exploratory Research

The sulfate- and Fe(III)- reducing bacteria (SRB and IRB) are primarily responsible for metals and radionuclide immobilization in porous subsurface sediments. Desulfovibrio vulgaris and Geobacter…

Growth analysis in mixed microbial populations using microscopy coupled with computational approaches

Lead Institution

Environmental Molecular Sciences Laboratory

Principal Investigator

Alex Beliaev

Project type

Large-Scale EMSL Research

Microbial phototroph-heterotroph associations (PHA) are common in nature as they provide basis for many water- and terrestrial-based ecosystems. Metabolic interactions between partners are the…

Study of Catalytic Properties of Atomic Gold in Polyaniline

Lead Institution

Georgia Institute of Technology

Principal Investigator

Miraslawa Josowicz

Project type

Large-Scale EMSL Research

Study of Catalytic Properties of Atomic Gold in Polyaniline Project Lead: Mira Josowicz, Ph.D Project Lead Institution: Georgia Institute of Technology, Georgia Tech Research Corporation Abstract…

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…

Surface-Induced Dissociation of Large Molecules in Mass Spectrometry

Lead Institution

Purdue University

Principal Investigator

Julia Laskin

Project type

Large-Scale EMSL Research

The general objective of our research is to achieve a fundamental understanding of the reaction kinetics and dynamics of activating and dissociating complex molecular ions, develop molecular level…

Assembly of the mRNA 3'-end processing machinery

Lead Institution

University of Washington

Principal Investigator

Gabriele Varani

Project type

Large-Scale EMSL Research

We propose to use NMR to study the structural basis for the assembly of the protein complex responsible for the formation of mature 3'-ends of mRNAs by cleavage and polyadenylation, and the…

Exploring Microbe-Microbe and Microbe-Environment Interactions in Acidiphilium cryptum and Acidithiobacillus ferrooxidans: A Model Contaminant Metal Redox Cycling System

Lead Institution

Idaho State University

Principal Investigator

Timothy Magnuson

Project type

Large-Scale EMSL Research

Dissimilatory metal-respiring bacteria (DIRB) of widely differing phylogenetic and ecophysiologic affiliation share one distinct physiologic feature-the copious production of redox-active…

Laboratory Studies of the Role of Amines in Particle Formation, Growth and Climate

Lead Institution

University of California, Irvine

Principal Investigator

Barbara Finlayson-Pitts

Project type

Large-Scale EMSL Research

Understanding the processes involved in new particle formation (NPF) and growth in the atmosphere is critical for accurate predictions of their impacts on visibility, climate and health. Recent…

Estimation of lifetime and evaluation of (Co,Mn)3O4 coatings for IT-SOFC Steel Interconnects application by determining of Cr and O diffusion coefficients

Lead Institution

Western Michigan University

Principal Investigator

Asghar Kayani

Project type

Large-Scale EMSL Research

Intermediate temperature solid oxide fuel (IT-SOFC) are becoming increasingly attractive as a way of producing energy from a variety of fuels such as hydrogen and hydrocarbons, which can be used for…

Density Functional Theory Calculations on Nucleation and Nanoparticles in the Fe-O-H system

Lead Institution

University of Texas at El Paso

Principal Investigator

James Kubicki

Project type

Exploratory Research

Molecular simulation of nanoscale and larger processes has generally required the use of classical force fields because quantum calculations are too computationally demanding and often do not scale…

Computational Mechanistic Studies of Water Oxidation by Ru Based Catalysts

Lead Institution

Washington State University

Principal Investigator

Aurora Clark

Project type

Exploratory Research

The development of catalysts which can produce H2 or other fuels and are made from earth-abundant materials is dependent upon the fundamental nature of the catalytic reactions and is closely linked…

Structure and Reactivity of Ices, Amorphous Solids, and Supercooled Liquid Solutions at Interfaces and in the Condensed Phase

Lead Institution

Pacific Northwest National Laboratory

Principal Investigator

R. Smith

Project type

Large-Scale EMSL Research

The objective of this research is to examine physiochemical phenomena occurring at the surface and within the bulk of ices, amorphous solids, and supercooled liquid solutions. Our approach will be…

Extending Complementary-Metal-Oxide-Semiconductor Technology Into the Future

Lead Institution

Northwestern University

Principal Investigator

David Seidman

Project type

Large-Scale EMSL Research

With the continuous scaling of microelectronic device dimensions, the variability in MOSFET characteristics, primarily due to the discrete distribution of dopant atoms is a major challenge facing the…

Deciphering the 24 nt siRNA Biogenesis and Chromatin Modification Network in Plants

Lead Institution

Indiana University - Bloomington

Principal Investigator

Craig Pikaard

Project type

Large-Scale EMSL Research

Small RNAs, including short interfering RNAs (siRNAs) and micro RNAs (miRNAs) play essential roles in development, nuclear organization of the genome, transposon taming, and defense against viral and…

The ISO-BOSS: Quantifying and Resolving Metabolic Rates and Metabolic Pathways in the Deep Subsurface Biosphere

Lead Institution

Harvard University

Principal Investigator

Peter Girguis

Project type

Large-Scale EMSL Research

Title: The ISO-BOSS: Quantifying and resolving metabolic rates and metabolic pathways in the deep subsurface biosphere PNNL ISO-BOSS abstract Recent evidence has shown that an extensive…

Coupled Surface and Solid-State Charge and Ion Transport Dynamics at Mineral/Water Interfaces: Redox Transformation of the Iron Oxides

Lead Institution

Pacific Northwest National Laboratory

Principal Investigator

Kevin Rosso

Project type

Large-Scale EMSL Research

This EMSL user proposal requests a continuation of EMSL access for a BES Geosciences supported project led by Dr. Rosso at PNNL. The past three years of research under this BES project we have been…

Activity-based Protein Capture of Archaeal Enzymes to Constrain Physiological Activity and Their Role in Global Methane Cycling

Lead Institution

Harvard University

Principal Investigator

Peter Girguis

Project type

Large-Scale EMSL Research

Methane is a potent greenhouse gas, capable of absorbing and releasing 25 times more heat to the atmosphere per molecule than carbon dioxide. A significant fraction of methane on Earth is…

Towards Complete Proteome Coverage and Identification of the Entire Protein Coding Potential of the Model Pathogen Bartonella henselae

Lead Institution

University of Zurich

Principal Investigator

Christian Ahrens

Project type

Large-Scale EMSL Research

Complete proteome discovery projects provide unique information not amenable by genomics technologies, including genes missed in the genome annotation, protein modifications, the true expression…