Mark Engelhard | Environmental Molecular Sciences Laboratory

Toward a Catalyst Digital Twin

Lead Institution

Pacific Northwest National Laboratory

Principal Investigator

Nicholas Nelson

Project type

Contracted Time

The chemical potential of atomically dispersed transition metal atoms (adatoms) is well known to determine catalyst structure and mediate its structural evolution during reaction through the…

X-ray photoelectron spectroscopy and expert consulting on thermal stabilization of multi-component inorganic oxide matrials.

Lead Institution

Pacific Northwest National Laboratory

Principal Investigator

Gary Spanner

Project type

Exploratory Research

Develop an understanding of the basic solid state chemistry of our oxide formulation and general design principles that can be used to increase thermal stability of such multi-component oxide…

Characterization of solid oxide fuel cell electrodes after exposure

Lead Institution

Pacific Northwest National Laboratory

Principal Investigator

Olga Marina

Project type

Large-Scale EMSL Research

The purpose of this project is to gain understanding how the fuel electrode chemistry and microstructure is affected by exposure to coal gas contaminants. This is of importance to operating solid…

Investigation of the structure of Cobalt-Zinc bimetallics for steam reforming of alcohols

Lead Institution

University of New Mexico

Principal Investigator

Abhaya Datye

Project type

Large-Scale EMSL Research

Cobalt and Cobalt-Zinc Oxide catalyst systems have been shown to be active towards methanol reforming (CHâ‚ƒOH â†’ COâ‚‚+Hâ‚‚) as well as selective towards production of COâ‚‚ and Hâ‚‚ instead of CO…

Role of Microenvironments and Transition Zones in Field scale microbial ecology and biogeochemistry

Lead Institution

Pacific Northwest National Laboratory

Principal Investigator

James McKinley

Project type

Exploratory Research

This is a renewal proposal for a previous collaborative effort between the PNNL Scientific Focus Area (SFA) and EMSL. The research proposed will resolve critical Hanford and basic subsurface science…

Electronic and Optical Properties of Doped Complex Oxide Epitaxial Films and Interfaces

Lead Institution

Pacific Northwest National Laboratory

Principal Investigator

Scott Chambers

Project type

Large-Scale EMSL Research

The effect of A-cation site and anion-site doping, as well as heteroepitaxial interface formation, on the electronic and optical properties of La-based perovskites will be investigated. Specimens…

Role of Microenvironments and Transition Zones in Subsurface Reactive Contaminant Transport

Lead Institution

Pacific Northwest National Laboratory

Principal Investigator

James McKinley

This is a renewal proposal for a previous collaborative effort between the PNNL Scientific Focus Area (SFA) and EMSL. The research proposed will resolve critical Hanford and basic subsurface science…

Evaluation of Ni-Plated Zircaloy Getter Surface Characteristics

Lead Institution

Environmental Molecular Sciences Laboratory

Principal Investigator

Mark Engelhard

The Tritium Target Program (TTP) uses getter tubes made of nickel-plated Zircaloy (NPZ) to contain tritium as it is generated in burnable absorber rods. The NPZ getters meet the applicable…

Structure-Property Relationships in Thin Film Energy Conversion Materials and Coatings

Lead Institution

Pacific Northwest National Laboratory

Principal Investigator

Dean Matson

Project type

Large-Scale EMSL Research

We propose to use of EMSL surface analysis, electron microscopy, laser spectroscopy and other analytical capabilities to characterize nanoscale organic and inorganic materials and hybrid thin film…

Addressing Challenges in Nanoscale Characterization

Lead Institution

Pacific Northwest National Laboratory

Principal Investigator

Daniel Gaspar

Project type

Large-Scale EMSL Research

Nanoscale materials offer the promise of significant advances in fields as diverse as the production, storage and efficient use of energy, sensing and environmental remediation. The characterization…

Complex Oxide Heteroepitaxial Growth of Novel Electronic and Magnetic Heterostructures

Lead Institution

Pacific Northwest National Laboratory

Principal Investigator

Scott Chambers

Project type

Large-Scale EMSL Research

Complex oxide heteroepitaxial growth of pure and magnetically doped perovskite films will be studied with the dual goals of: (i) enhancing understanding of the details of the growth process, and, (ii…

Role of Microenvironments and Transition Zones in Field Scale Microbial Ecology and Biogeochemistry

Lead Institution

Pacific Northwest National Laboratory

Principal Investigator

James McKinley

Project type

Limited Scope

This is a renewal proposal for a previous collaborative effort between the PNNL Scientific Focus Area (SFA) and EMSL. The research proposed will resolve critical Hanford and basic subsurface science…

Surface/Interface Induced Nucleation and Phase/Structure Evolution and the Correlation to the Performance Boosting/Fading of Advanced Energy Storage Materials

Lead Institution

Pacific Northwest National Laboratory

Principal Investigator

Xiaolin Li

Project type

Large-Scale EMSL Research

The goal of this proposal is to investigate the surface/interface effect on the synthesis and structure evolution of advanced energy storage materials and the correlation of these changes to the…

Investigation on Electrode/Electrolyte Interphase Reactions in Rechargeable Metal-Oxygen Batteries

Lead Institution

Pacific Northwest National Laboratory

Principal Investigator

Wu Xu

Project type

Large-Scale EMSL Research

The objective of this proposal is to understand the reactions occurring at the electrode/electrolyte interphases in two metal-oxygen batteries, more specifically the interphases of lithium…

Extracellular Research Thrust for EMSL SSA

Lead Institution

Pacific Northwest National Laboratory

Principal Investigator

Kirsten Hofmockel

This project will develop a conceptual framework that defines the biotic and abiotic mechanisms regulating the persistence of mineral associated organic matter (OM). The specific goals are to…

Early Transition Metal Oxides as Catalysts: Crossing Scales from Clusters to Single Crystals to Functioning Materials

Lead Institution

Pacific Northwest National Laboratory

Principal Investigator

Charles Peden

Project type

Large-Scale EMSL Research

Current commercial heterogeneous catalysts are structurally and chemically complex and their experimental assessment can seldom be interpreted with atomic-level precision. We seek to reduce the…

Reductive Transformation of Iron Oxides: Coupled Solution and Solid-State Pathways

Lead Institution

Pacific Northwest National Laboratory

Principal Investigator

Kevin Rosso

Project type

Large-Scale EMSL Research

Reductive transformation of Fe(III)-oxides such as &#61537; Fe2O3 (hematite) by aqueous dissolution / re precipitation is a central part of the natural biogeochemical iron cycle in the…

The Reaction Specificity of Nanoparticles in Solution: Interactions between Iron Nanoparticles, their Coatings, and the Environment

Lead Institution

Environmental Molecular Sciences Laboratory

Principal Investigator

Donald Baer

Project type

Large-Scale EMSL Research

The objective of our research is to obtain fundamental information about the physical and chemical transformations that occur on and within mineral oxide nanoparticulates due to electron transfer…

Characterization of zeolites

Lead Institution

Pacific Northwest National Laboratory

Principal Investigator

Brian Riley

Project type

Limited Scope

We are using metal-exchanged zeolites as sorbents for methyl bromide under a DTRA project. This proposal is geared to allow us to characterize our zeolites using analytical instruments available at…

Well-defined Metal-Oxide Catalysts to Understand Fundamental Chemical Transformations

Lead Institution

Pacific Northwest National Laboratory

Principal Investigator

Charles Peden

Project type

Large-Scale EMSL Research

Catalytic materials for the full and complex range of chemical transformations being considered for upgrading biomass-derived molecules to fuels and chemicals include metals dispersed on oxide- and…

Characterization of the bio-oil hydrotreating catalysts

Lead Institution

Environmental Molecular Sciences Laboratory

Principal Investigator

Mark Engelhard

PNNL is working on an EERE international collaboration project to exchange scientific and technical information on biomass feedstock production and conversion to biofuels with China and additionally…

Investigations on Electrode/Electrolyte Interfacial Reactions in Localized High-Concentration Electrolytes for Various Energy Storage Chemistries

Lead Institution

Environmental Molecular Sciences Laboratory

Principal Investigator

Mark Engelhard

Localized high-concentration electrolytes (LHCEs) developed at PNNL in 2017 for rechargeable lithium (Li) metal batteries show not only significant enhancement in protection of Li metal anode and…

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

One of the key challenges facing the catalysis community is the elimination of harmful gases emitted by internal combustion engines. In particular, the reduction of NOx from an exhaust gas mixture…

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 (&#8804;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…

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…

Isotopic Measurements for MAJORANA

Lead Institution

Environmental Molecular Sciences Laboratory

Principal Investigator

Zihua Zhu

The current focal point of PNNL's nuclear physics program is the MAJORANA DEMONSTRATOR, and the follow-on 1-tonne scale experiment, a large array of ultra-low background high-purity germanium…

Structure-property relationships in pure and doped epitaxial tungsten trioxide thin films

Lead Institution

Pacific Northwest National Laboratory

Principal Investigator

Yingge Du

The primary objective of this project is to investigate the structure-property relationships of well-defined epitaxial tungsten trioxide (WO3) films with and without dopants, and thereby provide…

Hydro-Biogeochemical Process Dynamics in the Groundwater-Surface Water Interaction Zone

Lead Institution

Pacific Northwest National Laboratory

Principal Investigator

John Zachara

This is a renewal proposal for a previous collaborative effort between the PNNL Scientific Focus Area (SFA) and EMSL.PNNL Scientific Focus Area. The PNNL SFA will develop a predictive understanding…

Electrolyte Interfacial Reactions in Localized High Concentration Electrolytes for Various Energy Storage Chemistries

Lead Institution

Environmental Molecular Sciences Laboratory

Principal Investigator

Mark Engelhard

Localized high-concentration electrolytes (LHCEs) developed at PNNL in 2017 for rechargeable lithium (Li) metal batteries show not only significant enhancement in protection of Li metal anode and…

The role of U(V) during heterogeneous reduction of aqueous U(VI) to U(IV).

Lead Institution

Pacific Northwest National Laboratory

Principal Investigator

Eugene Ilton

Project type

Large-Scale EMSL Research

This proposal is being submitted in response to the Science theme call: Biogeochemistry and Subsurface Science, understanding the chemistry of radionuclides in the subsurface. It directly relates to…

Experimental and Theoretical Investigations on the
Chemistry and Dynamics of Ammonia Borane Dehydrogenation

Lead Institution

Pacific Northwest National Laboratory

Principal Investigator

Thomas Autrey

Project type

Large-Scale EMSL Research

Increasing demands for clean energy sources that do not add CO2 and other pollutants to the environment have resulted in increased worldwide interest in the possibilities of a "hydrogen economy…

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…

Characterization of inorganic thin films on polymer substrate

Lead Institution

Environmental Molecular Sciences Laboratory

Principal Investigator

Theva Thevuthasan

We have received some oxide thin films that were grown on polymer substrate for characterization as a part of TAP program. The PIs are interested in elemental qunatifications in these films.

Computational and Experimental Investigations into Ethanol and Higher (C2+) Oxygenate Synthesis from Biomass-derived Syngas Using Rh-based Catalysts

Lead Institution

Archer Daniels Midland Company

Principal Investigator

Karl Albrecht

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

Understanding surface species and interactions between adsorbed chloride and water on stored PuO2

Lead Institution

Pacific Northwest National Laboratory

Principal Investigator

Carolyn Pearce

Project type

Special Science

Radiation induced degradation of chlorinated polymers, such as poly(vinyl chloride) (PVC), used historically in packaging of plutonium oxide (PuO2), has led to chloride-contaminated PuO2, which…

Integrating mineral-associated organic matter (MAOM) colloid characteristics into dissolved organic matter (DOM) representation in Earth system models

Lead Institution

Environmental Molecular Sciences Laboratory

Principal Investigator

Ravi Kukkadapu

We propose developing a workflow to generate colloids from operationally defined DOM solutions using aerosol-based techniques, then develop a spectroscopic/microscopic capability pipeline to…

Spin Electronic Phenomena in Magnetically Doped Perovskites and Complex Oxide Interfaces

Lead Institution

Pacific Northwest National Laboratory

Principal Investigator

Scott Chambers

Project type

Large-Scale EMSL Research

Semiconductor spintronics has the potential to create entirely new paradigms for analog and digital electronics which may have a significant impact on energy consumption and efficiency. However,…

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…

Chalcogenide Surface Science

Lead Institution

Pacific Northwest National Laboratory

Principal Investigator

Bradley Johnson

Project type

Limited Scope

The objective of this work is to use XPS to study the surface chemistry of IR transparent chalcogenide fibers that have undergone photo-induced and/or opto-mechanical failures. Raytheon Missile…

Nanoparticle design, synthesis and characterization for NIH Center Integrating Structure, Activity, Biokinetics and Response for Engineered Nanoparticle (ENP) Risk Assessment

Lead Institution

Environmental Molecular Sciences Laboratory

Principal Investigator

Donald Baer

Project type

Large-Scale EMSL Research

This work provides the essential materials science base for designing, synthesizing and delivering three types of nanoparticles for three mechanistic nanotoxicology related biological studies being…

Development of Catalysts for the Selective Conversion of Biomass Derived Products to Fuels

Lead Institution

Virginia Polytechnic Institute

Principal Investigator

Ayman Karim

The large increase in energy demand by emerging economies and the environmental concerns over the use of fossil fuels has led to the focus on renewable energy sources such as biomass. Several…

Graphene Oxide Based Structured Laminar Membranes

Lead Institution

Pacific Northwest National Laboratory

Principal Investigator

David Gotthold

Project type

Limited Scope

Structured laminar membranes, consisting of hierarchically stacked, overlapping layers of 2D graphene oxide (GOx), are a fascinating and promising new class of materials with the potential for…

Chalcogenide Surface Science

Lead Institution

Pacific Northwest National Laboratory

Principal Investigator

Bradley Johnson

Project type

Exploratory Research

Chalcogenide nanowires have been observed to form on soda lime glass and fused quartz substrates. These materials have potential application for analytical and photonic devices. Further research is…

Surface and Interface Studies of Photochemically Initiated Immobilization

Lead Institution

Portland State University

Principal Investigator

Mingdi Yan

Project type

Large-Scale EMSL Research

The ability to precisely control surface and interface properties is of paramount importance in applications ranging from catalysis, adhesion, sensing, to nanoscale devices. Critical to these…

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…

The role of U(V) during heterogeneous reduction of aqueous U(VI) to U(IV).

Lead Institution

Pacific Northwest National Laboratory

Principal Investigator

Eugene Ilton

Project type

Exploratory Research

This proposal is being submitted in response to the Science theme call: Biogeochemistry and Subsurface Science, understanding the chemistry of radionuclides in the subsurface. It directly relates to…

TiO2 photocatalyst poisoning/contamination TAP project

Lead Institution

Environmental Molecular Sciences Laboratory

Principal Investigator

Mark Engelhard

Puralytics makes a water treatment system using UV-activated photoctalysis to remove organic and other contaminates from water. The photocatalytic material is becoming de-activated/contaminated by…

A Computational Investigation of Ethanol Synthesis from Biomass-derived Syngas Using Rh-based Catalysts on a Carbon Support

Lead Institution

Archer Daniels Midland Company

Principal Investigator

Karl Albrecht

Project type

Limited Scope

Lab-scale fixed bed reactor testing has demonstrated significant differences in the behavior of catalysts on alternative supports (e.g. carbon versus silica). To work to explain some of these…

Proof-of-principle work using CeO2 as an analogue to understand surface species and interactions between adsorbed chloride and water on stored PuO2

Lead Institution

Pacific Northwest National Laboratory

Principal Investigator

Carolyn Pearce

Project type

Limited Scope

Radiation induced degradation of chlorinated polymers, such as poly(vinyl chloride) (PVC), used historically in packaging of plutonium oxide (PuO2), has led to chloride-contaminated PuO2, which…

Test Measurements and Approaches for Enhancing Information Available from Surface Analysis of Oxides, nanoparticles and organic materials analysis

Lead Institution

Environmental Molecular Sciences Laboratory

Principal Investigator

Donald Baer

Project type

Large-Scale EMSL Research

This activity involves extending the state of the art in surface analysis by expanding the understanding of equipment capability, testing new approaches to instrument calibration, operation and data…

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