Molecular Activation and Single Atom Catalysis

Abstract

Molecular activation is a prerequisite to catalysis. The use of single atoms to induce activation and thus catalysis has many potential advantages. In addition to saving on the cost of expensive catalytic metals, single atom catalysts are also the ultimate single site catalysts and as such offer the prospect of enhanced selectivity. Here, we propose a research program that has two somewhat parallel parts. In one, single atomic anion induced activation of molecules and their subsequent reactions with other molecules will be studied in beam gas environments. In the other, single atom catalysis will be explored using single metal atom doped metal oxide clusters as prototypical single atom catalysts. This second part also has two sub parts, one in which mass selected, single metal atom doped metal oxide cluster ions are gently deposited on surfaces, where they lose their charge and become neutral catalytically active sites, and the other in which these same cluster ion compositions serve as gas phase models of single atom catalysis. The strength of our proposed gas phase experiments lies in their ability to initiate and elucidate microscopic facets of molecular activation, while the strength of our proposed surface studies lies in their ability to produce actual catalytic reaction products through single atom catalysis. Together, these two aspects of this proposal are a synergetic combination. There are several potential applications of this work to the Air Force’s mission. In particular, the fundamental understanding of molecular activation and single atom catalysis provided by this work is relevant to the development of next generation fuels and propellants.

Document Details

Document Type
DoD Grant Award
Publication Date
Jan 14, 2022
Source ID
FA95501910077

Entities

People

  • Kit H Bowen

Organizations

  • Air Force Office of Scientific Research
  • Johns Hopkins University
  • United States Air Force

Tags

Fields of Study

  • Chemistry

Readers

  • Electrochemical Engineering/ Fuel Cell Technologies
  • Quantum Chemistry
  • Systems Analysis and Design