Single-Atom Catalytic Systems: From Gas Phase to Interfaces
Abstract
Single-atom catalysis represents an emerging field in chemical transformation, bridging homogeneous and heterogeneous catalysis. A typical single-atom catalyst consists of atomically dispersed transition-metal atoms or ions anchored on an oxide support. Despite their increasing importance and popularity, the formation, stability, activity, and dynamics of single-atom catalysts are still to be elucidated. In this proposal, we tackle the problem from two intertwined perspectives. One investigates how chemical bonds are activated in the gas phase by small cationic metal oxide molecules, where the influence of the support is eliminated. The other focuses on the single-atom catalyst formation on a prototypical support, namely ceria (CeO2), and the catalytic evolution caused by Ostwald ripening and atomic redistribution. Novel theoretical methods will be developed to address important issues relevant to these systems. Close collaborations with leading experimental groups will help to validate theoretical models and stimulate new theoretical explorations.
Document Details
- Document Type
- DoD Grant Award
- Publication Date
- Sep 19, 2018
- Source ID
- FA95501810413
Entities
People
- Hua Guo
Organizations
- Air Force Office of Scientific Research
- United States Air Force
- University of New Mexico