Bruce Kay

Structure and Catalytic Activity of Supported Early Transition Metal Oxide Clusters

Lead Institution

Pacific Northwest National Laboratory

Principal Investigator

Zdenek Dohnalek

Project type

Large-Scale EMSL Research

This proposal is a continuation of research under EMSL User Proposal #22091. Current commercial heterogeneous catalysts are structurally and chemically complex and measurements on them can seldom be…

Model Ruthenium Oxide Catalysts for Biomass Conversion

Lead Institution

Pacific Northwest National Laboratory

Principal Investigator

Zdenek Dohnalek

This proposal focuses on mechanistic studies of biomass deoxygenation chemistry on model ruthenium oxide catalysts. Our previous work has concentrated on the properties of TiO2, WO3, and MoO3 based…

Experimental Studies of Fundamental Molecule-Particle Interactions and Reactions on Iron Metal and Oxide Surfaces

Lead Institution

Pacific Northwest National Laboratory

Principal Investigator

R. Smith

Project type

Large-Scale EMSL Research

Metal oxides constitute an important class of materials and are used in a wide range of catalytic and environmental science applications. In environmental applications, oxides are primarily used to…

Mechanistic Studies of Hydrogen Addition Reactions

Lead Institution

Pacific Northwest National Laboratory

Principal Investigator

Zdenek Dohnalek

This proposal focuses on attaining the mechanistic understanding of catalytic biomass hydrogenation reactions using small oxygenates as models for various functional groups present in biomass…

The Binding Energetics of Methane on Water Ice Surfaces

Lead Institution

University of Arizona

Principal Investigator

Catherine Neish

Project type

Large-Scale EMSL Research

New observations of Saturn's moon Titan by the Cassini-Huygens mission have revealed a world strangely Earth-like in nature. In January 2005, the Huygens probe descended through Titan's…

Properties of Amorphous Solids and Supercooled Liquids near the Glass Transition: Models for Liquids at Interfaces and in the Condensed Phase

Lead Institution

Pacific Northwest National Laboratory

Principal Investigator

R. Smith

The aims of this proposal are to develop, implement, and execute innovative experimental approaches to measure the physical properties of amorphous solids and supercooled liquids near the glass…

The Interaction of HCl on Water Ice Nanoscale Films

Lead Institution

Concordia University

Principal Investigator

Patrick Ayotte

Project type

Large-Scale EMSL Research

Our description of the role played by ice particles in altering the chemical composition of the Earth's atmosphere is currently undermined by our poor understanding of the interaction of…

Condensed Phase Chemical Physics of Low Temperature Amorphous Solids and Gas Surface Interactions (Kay's BES-Surface Kinetics, PNNL Scope #16248)

Lead Institution

Pacific Northwest National Laboratory

Principal Investigator

Bruce Kay

Project type

Exploratory Research

We are investigating the thermodynamic behavior of amorphous solids and amorphous solid water. In addition, we are studying the dynamics of gas surface interactions.

Atomically Resolved Studies of Catalytic and Photocatalytic Processes on TiO2(110)

Lead Institution

Pacific Northwest National Laboratory

Principal Investigator

Zdenek Dohnalek

Project type

Large-Scale EMSL Research

This proposal is a continuation of research under EMSL User Proposal #14591. In the last two decades, titanium dioxide has emerged as an extremely promising material with numerous applications in…

Early Transition Metal Oxides as Catalysts (Kay's BES/Chemical Physics-Catalysis WBS0502 of Peden's BES-Chemical Transformations at Complex Interfaces, PNNL Scope #47319)

Lead Institution

Pacific Northwest National Laboratory

Principal Investigator

R. Smith

Project type

Exploratory Research

Propose to study the catalytic and surface chemistry of transition metal oxides. We will use molecular beam and surface science techniques to grow and study novel oxide materials. We will focus on…

Reaction Specificity of Nanoparticles in Solution (PNNL Scope # 42184/44076)

Lead Institution

University of Minnesota

Principal Investigator

R. Penn

Project type

Exploratory Research

This User Proposal is being submitted as part of an approved NSET proposal under PIs Don Baer and Paul Tratnyek to perform fundamental basic science studies that will benefit a whole range of…

Reaction Specificity of Nanoparticles in Solution (PNNL Scope # 42184/44076, Baer/Amonette Nano-Fe BES/EMSP project)

Lead Institution

Environmental Molecular Sciences Laboratory

Principal Investigator

Donald Baer

Project type

Exploratory Research

This User Proposal is being submitted as part of an approved NSET proposal under PIs Don Baer and Paul Tratnyek to perform fundamental basic science studies that will benefit a whole range of…

Experimental and Theoretical Studies of Reaction Pathways for the Breakdown of Chlorinated Hydrocarbon Molecules by Metal and Metal Oxide Nanoparticles(including PNNL Scope # 42184/44076, Baer/Amonette/Tratnyek Nano-Fe BES/EMSP project)

Lead Institution

Pacific Northwest National Laboratory

Principal Investigator

James Amonette

Project type

Large-Scale EMSL Research

Metal and metal-oxide nanoparticles have been shown to have high reactivity towards a variety of chemical species, including chlorinated hydrocarbons and reducible oxyanions that frequently…

Theoretical models of the adsorption and desorption dynamics in compressed monolayers

Lead Institution

Pacific Northwest National Laboratory

Principal Investigator

Gregory Kimmel

Project type

Exploratory Research

We will model the adsorption and desorption behavior of gases into and from compressed monolayers. The results should provide information regarding the energetics of compressed monolayers. …

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…

Atomically Resolved Studies of Catalytic Oxidation of Organics on TiO2(110)

Lead Institution

Baylor University

Principal Investigator

Zhenrong Zhang

Project type

Large-Scale EMSL Research

A fundamental understanding of the structure-related mechanisms and dynamics of catalytic reactions on oxide catalysts is essential for the development of better catalytic systems. Catalytic…

Experimental Studies of Fundamental Molecule-Particle Interactions and Reactions on Iron Metal and Oxide Surfaces

Lead Institution

Pacific Northwest National Laboratory

Principal Investigator

R. Smith

Project type

Large-Scale EMSL Research

We will employ a novel 'atom-dropping' approach to explore the reactivity Fe and Fe oxides with environmentally relevant species. Iron oxides will be deposited directly via evaporation or…

Theoretical Studies of Kinetic Processes in Nanoscale Ice Films

Lead Institution

University of Iceland

Principal Investigator

Hannes Jonsson

Project type

Exploratory Research

We will study the sticking probability of a water molecule on the basal plane of hexagonal ice using experiments and theory. The molecular sticking will be studied over a wide range in energy (0.5…

Fundamentals of Carbonate Formation: Interactions of CO2 with Supported Metal Oxide Clusters

Lead Institution

Pacific Northwest National Laboratory

Principal Investigator

Xiao Lin

Project type

Large-Scale EMSL Research

We propose to study the fundamental aspects of CO2 adsorption and reactions leading to carbonate (CO32-) formation on well-characterized surfaces and supported nanoclusters of model oxides. Well…

Chemical Kinetics and Dynamics at Interfaces: Structure and Reactivity of Ices, Amorphous Solids, and Supercooled Liquid Solutions (Kay's BES-Surface Kinetics, PNNL Scope #16248)

Lead Institution

Pacific Northwest National Laboratory

Principal Investigator

R. Smith

Project type

Exploratory 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. The microscopic…

Properties of Amorphous Solids and Supercooled Liquids near the Glass Transition: Models for Liquids at Interfaces and in the Condensed Phase

Lead Institution

Pacific Northwest National Laboratory

Principal Investigator

R. Smith

The aims of this proposal are to develop, implement, and execute innovative experimental approaches to measure the physical properties of amorphous solids and supercooled liquids near the glass…

Structure and Catalytic Activity of Supported Early Transition Metal Oxide Clusters (Kay's BES/Chemical Physics-Catalysis WBS0502 of Peden's BES-Chemical Transformations at Complex Interfaces, PNNL Scope #47319)

Lead Institution

Pacific Northwest National Laboratory

Principal Investigator

Zdenek Dohnalek

Project type

Exploratory Research

Current commercial heterogeneous catalysts are structurally and chemically complex and measurements on them can seldom be interpreted with atomic-level precision. This is especially so for supported…

Model Early Transition Metal Oxide Catalysts for Biomass Conversion

Lead Institution

Pacific Northwest National Laboratory

Principal Investigator

Zdenek Dohnalek

Project type

Large-Scale EMSL Research

The detailed understanding of biomass conversion on well-defined model oxide catalysts provides valuable feedback for subsequent catalyst design and synthesis of desired products such as biofuels…

Chemical Kinetics and Dynamics at Interfaces: Structure and Reactivity of Ices, Amorphous Solids, and Supercooled Liquid Solutions

Lead Institution

Pacific Northwest National Laboratory

Principal Investigator

R. Smith

Project type

Large-Scale EMSL Research

This proposal is a continuation of research under EMSL User Proposal #21890. The objective of this research is to examine physiochemical phenomena occurring at the surface and within the bulk of…

Properties of Amorphous Solids and Supercooled Liquids near the Glass Transition: Models for Liquids at Interfaces and in the Condensed Phase

Lead Institution

Pacific Northwest National Laboratory

Principal Investigator

R. Smith

The aims of this proposal are to develop, implement, and execute innovative experimental approaches to measure the physical properties of amorphous solids and supercooled liquids near the glass…

Projects