Supported Single Atom Catalysts for Low Temperature Oxidation
Abstract
The objective of this effort is to understand the structural and electronic properties of single-atoms and subnanometer clusters for low temperature oxidation. Atomically controlled catalyst synthesis and kinetic measurements will be combined with advanced in situ/operando characterization and ab-initio calculations to investigate the structural, electronic, and catalytic properties of supported Ir-single-atoms and subnanometer clusters for low temperature oxidation. Ir-supported catalysts will be synthesized by controlling the Ir nuclearity from single atoms to subnanometer clusters and nanoparticles; and independently varying the electronic properties of the catalysts by modifying the support properties. The structural and electronic properties of the supported single-atoms and clusters and the interaction with adsorbates will be characterized in situ and in-operando by spectroscopic and calorimetric methods (X-ray absorption spectroscopy, microcalorimetry and diffuse reflectance infrared Fourier transform (DRIFTS)). Kinetic studies using two model reactions (CO and HCHO oxidation) will be carried out to correlate the structural and electronic properties to the catalytic properties of the single-atoms and subnanometer clusters. The experiments will be complemented by DFT calculations to build a comprehensive understanding of reactivity and develop catalyst design rules in the subnanometer regime. The proposed work will have a major impact on advancing catalysis science by providing an unprecedented detailed view of the structural, electronic and catalytic properties of supported single-atoms and subnanometer clusters. Additionally, the Òmodel powder catalystsÓ and design rules developed in this work will serve as a new platform to investigate how to design highly active catalysts for other low temperature oxidation reactions (e.g. for CWA oxidation).
Document Details
- Document Type
- DoD Grant Award
- Publication Date
- Feb 06, 2017
- Source ID
- W911NF1610400
Entities
People
- Ayman M Karim
Organizations
- Army Contracting Command
- United States Army
- Virginia Tech