Rye Terrell

First principles adaptive kinetic Monte Carlo calculations of catalytic reactions at supported nanoparticles

Lead Institution

University of Texas at Austin

Principal Investigator

Graeme Henkelman

Project type

Large-Scale EMSL Research

The goal of this project is to use density functional theory calculations to discover the mechanisms and rates of catalytic reactions on oxide supported metal surfaces and nanoparticles. The focus…

Fundamental Mechanistic Studies of Catalytic Hydrogen Production and Utilization

Lead Institution

Pacific Northwest National Laboratory

Principal Investigator

Charles Peden

Project type

Large-Scale EMSL Research

This project will apply a unique capability at PNNL for heterogeneous catalysis R&D employing isotopic transient kinetic analysis (ITKA) techniques with mass spectroscopic and in-situ…

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…

Fundamental Studies of Nitrogen Oxide Surface chemistry: A Model System approach

Lead Institution

Pacific Northwest National Laboratory

Principal Investigator

Janos Szanyi

Project type

Large-Scale EMSL Research

In our proposed research we will employ a model system approach to elucidate the structure-reactivity relationships of base-metal oxide nanostructures supported on planar oxide substrates. The major…

EMSL Science Overview

Rye Terrell

Projects

First principles adaptive kinetic Monte Carlo calculations of catalytic reactions at supported nanoparticles

Fundamental Mechanistic Studies of Catalytic Hydrogen Production and Utilization

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

Fundamental Studies of Nitrogen Oxide Surface chemistry: A Model System approach