Ja Hun Kwak | Environmental Molecular Sciences Laboratory

NMR and Computational Studies of Chemical Transformations at Complex Interfaces

Lead Institution

University of Alabama

Principal Investigator

David Dixon

Project type

Large-Scale EMSL Research

Catalysis provides the means of controlling the rates at which chemical bonds are formed or broken and the yields of desired products over undesired ones. New computational and experimental…

Fundamental Studies of Vehicle Emission Control Catalysts

Lead Institution

Pacific Northwest National Laboratory

Principal Investigator

Charles Peden

The abatement of environmentally harmful NOx compounds (NO, NO2, and N2O) emitted from mobile or stationary power sources remains a challenging task for the catalysis community. In particular,…

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…

Atomic Level Investigation of the Phase Stability of Transition Metal Surfaces Under Reactive Environment

Lead Institution

Pacific Northwest National Laboratory

Principal Investigator

Libor Kovarik

Atomic level understanding of transition metal surfaces (in particular the surfaces of metal nano-particles) is critical for developing a structure-property relationship in a range of scientific…

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…

Small-pore zeolite supported Cu/Fe as selective catalytic reduction catalysts, and Pd/Pt as passive NOx adsorbers and low-temperature methane combustion catalysts

Lead Institution

Pacific Northwest National Laboratory

Principal Investigator

Feng Gao

To help meet DOE goals of enabling more fuel-efficient vehicle engine technologies, for the past ~15 years we have been carrying out research programs funded by DOE/Office of Energy Efficiency and…

Visualization of soot-trapped diesel particulate filters (DPF) using nuclear magnetic resonance imaging

Lead Institution

Ulsan National Institute of Science and Technology

Principal Investigator

Ja Hun Kwak

Project type

Capability Research

Legislators in the United States and Europe have been aggressive in the pursuit of diesel engine particulate control, especially focusing on the reduction of particulate matter below 2.5 microns in…

catalyst & support characterization

Lead Institution

Pacific Northwest National Laboratory

Principal Investigator

Robert Disselkamp

Determine BET specific surface area, as well as chemisorption-analyzed specific areas of catalysts. SEM and/or TEM imaging of catalysts will also be performed. Collect infrared/optical/UV/x-ray…

Development of Alternative and Durable High Performance Cathode Supports for PEM Fuel Cells

Lead Institution

Washington State University

Principal Investigator

Yong Wang

Project type

Large-Scale EMSL Research

The poor durability of cathode supports and catalysts in proton exchange membrane fuel cells (PEMFCs) is a key technical barrier for stationary and transportation applications. Carbon support…

Fundamental Studies of NOx Adsorber Materials (Chuck Peden's EE Project - 47120)

Lead Institution

Pacific Northwest National Laboratory

Principal Investigator

Charles Peden

Project type

Exploratory Research

This program is a multi-year effort at Pacific Northwest National Laboratory to develop a fundamental understanding of the operation of NOx adsorbers, and to share this understanding with bench…

Fundamental Studies of Nitrogen Oxide Surface Chemistry: A Model System Approach Combining Experiments and Theory

Lead Institution

Pacific Northwest National Laboratory

Principal Investigator

Janos Szanyi

Project type

Large-Scale EMSL Research

This program is aimed at the development of a fundamental understanding of catalytic nitrogen oxide (NOx) chemistry on base metal oxide surfaces. Special emphasis is on identifying new and unique…

NMR for Catalyst Studies

Lead Institution

Pacific Northwest National Laboratory

Principal Investigator

Charles Peden

A detailed understanding of the mechanisms involved in a catalytic reaction requires that we identify the nature of the active sites and of reaction intermediates, and that we probe dynamic processes…

FAST MAS probe Technology for 900 MHz NMR

Lead Institution

Pacific Northwest National Laboratory

Principal Investigator

Charles Peden

Project type

Scientific Partner

Overall Objective: To enhance EMSLs flagship 900 MHz solid- state NMR capability through addition and development of ultra-fast spinning MAS probes optimized for the study of catalytic systems.

NMR for Catalyst Studies

Lead Institution

Pacific Northwest National Laboratory

Principal Investigator

Charles Peden

Project type

Large-Scale EMSL Research

A detailed understanding of the mechanisms involved in a catalytic reaction requires that we identify the nature of the active sites and of reaction intermediates, and that we probe dynamic processes…

In Situ Nuclear Magnetic Resonance Investigations of Trapping Mechanisms in CO2 Storage

Lead Institution

Environmental Molecular Sciences Laboratory

Principal Investigator

David Hoyt

Global increases in carbon emissions and the rapid decrease in energy securities have resulted in an increased global commitment to develop technology for stabilizing CO2 released into the…

In-situ High Field, High Resolution NMR Spectroscopy

Lead Institution

Pacific Northwest National Laboratory

Principal Investigator

Jian-zhi Hu

A magic angle turning (MAT) solid state NMR probe with discrete sample rotation is proposed so that a combination of temperature, pressure, and flow control is possible while a high resolution…

Mechanistic understanding of zeolite deactivation pathways

Lead Institution

Caterpillar, Inc.

Principal Investigator

Joshua Ratts

Project type

Exploratory Research

Three zeolite powders (Fe-MFI, Cu-MFI, and Fe-BEA) commonly used in SCR NOx reduction will be hydrothermally aged in air using a variety of temperatures, aging times and water concentrations in a…

In-situ High Field, High Resolution NMR Spectroscopy

Lead Institution

Pacific Northwest National Laboratory

Principal Investigator

Jian-zhi Hu

A magic angle turning (MAT) solid state NMR probe with discrete sample rotation is proposed so that a combination of temperature, pressure, and flow control is possible while a high resolution…

NMR and Computational Studies of Chemical Transformations at Complex Interfaces for Catalytic Applications

Lead Institution

University of Alabama

Principal Investigator

David Dixon

Project type

Large-Scale EMSL Research

Catalysis science is at the core of many of the DOE's programs including its core energy mission. Catalysts, both homogeneous and heterogeneous, facilitate the control of chemical reactions by…

NMR Study of Novel Hydrogen Storage Materials

Lead Institution

Pacific Northwest National Laboratory

Principal Investigator

Z. Gary Yang

Project type

Large-Scale EMSL Research

In the past two years, PNNL has collaborated with the University of Connecticut with aims to develop nanostructured hydrides and to obtain insights into the hydrogen desorption and sorption of the…

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

Catalysits systems related to automotive exhaust control will be investigated. Specifically, the focus will be on catalysts that are important in lean NOx emission control (NOx storage/reduction …

Investigation of crystalline to amorphous phase of cellulose by using Slow Magic Angle Spinning NMR Spectroscopy

Lead Institution

Pacific Northwest National Laboratory

Principal Investigator

Johnathan Holladay

Project type

Capability Research

A fundamental understanding of structural and functional relationship of hydrated cellulose is very important for the design of new catalysts and processes for rapid and selective hydrolysis of…

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 measurements on them can seldom be interpreted with atomic-level precision. This is especially so for supported…

Characterization of tungsten carbide synthesized by controlled template method

Lead Institution

Ulsan National Institute of Science and Technology

Principal Investigator

Ja Hun Kwak

Project type

Exploratory Research

High purity tungsten carbide materials with high surface area and porosity can provide technically and economically attractive alternates for platinum in an electrocatalysis. We are developing novel…

Catalysis Research Campaign: An Integrated Multi-Capability Approach for Analysis of Catalytic Systems

Lead Institution

Pacific Northwest National Laboratory

Principal Investigator

Charles Peden

Project type

Research Campaign

In this research campaign, advanced capabilities within the Environmental Molecular Sciences Laboratory (EMSL) at the Pacific Northwest National Laboratory will be integrated for in-depth, molecular…

High Surface Area Nanocrystalline SiC Material Analysis

Lead Institution

Idaho National Laboratory

Principal Investigator

Daniel Ginosar

Project type

Exploratory Research

Nanocrytalline SiC materials with high surface areas have a wide range of applications in catalysts, high temperature gas separation, semiconductors, high temperature sensors and electrodes,…

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…

Fundamental Investigations of Heterogeneous Catalysis Using Isotopic Transient Kinetic Analysis - (Scope 90001)

Lead Institution

Pacific Northwest National Laboratory

Principal Investigator

Robert Disselkamp

Project type

Exploratory Research

This project is aimed at developing a new capability at PNNL for performing detailed transient kinetics studies to probe catalytic reaction mechanisms, while simultaneously spectroscopically…

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 high surface area tungsten carbide synthesized by templated synthesis methods electrocalytic applications

Lead Institution

Ulsan National Institute of Science and Technology

Principal Investigator

Ja Hun Kwak

Project type

Large-Scale EMSL Research

Transition metal carbides have long been sought as alternatives to precious metals for catalysis and electrochemical applications since Levy and Boudart (1973) first reported that WC displayed…

Formation, Stability, and Reactivity of atomically dispersed transition metals stabilized on oxide supports

Lead Institution

University of New Mexico

Principal Investigator

Abhaya Datye

Project type

Large-Scale EMSL Research

In the course of our previous studies of supported Pd we learned that the support may be modified during reaction, especially after elevated temperature treatments, due to the incorporation of…

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