# Collaborative Research: Structure, Dynamics, and Catalysis with Dilute Bimetallic and Single Atom Alloy Nanoparticles

> **NSF 01002324DB NSF RESEARCH & RELATED ACTIVIT** · University of Virginia Main Campus (VA) · $182,589

## Abstract

With support from the Chemical Catalysis program in the Division of Chemistry, David Flaherty (Georgia Institute of Technology), David HIbbitts (University of Florida), and Ayman Karim (Virginia Polytechnical Institute) will examine the connections among the structure, dynamics, and catalysis of reactions with oxygen on bimetallic nanoparticles.  The team will create, characterize, simulate, and test how atoms of distinct metals move and facilitate reactions upon the surfaces of nanoparticles comprised primarily of gold with small amounts (1-5%) of a second element such as palladium or platinum. These materials are commonly described as single atom alloy (SAA) catalysts. These materials offer high rates and selectivities for numerous reactions important for domestic production of energy carriers and platform chemicals (e.g., valorization of biomass, shale gas, operation of fuel cells and electrolyzers). SAA currently suffer from a distressingly low number of active sites per gram of precious metal used. The collaborative team aims to develop methods to create SAA nanoparticles with smaller diameters (< 2 nm) to remedy this problem, and then test if the emergent and beneficial catalytic properties of these SAA are preserved as the size of the nanoparticles decreases. Here, the team will combine cutting-edge methods in quantum chemical simulations and multiscale modeling, characterization of operating catalysts using synchrotron methods, and catalyst testing and spectroscopy to

## Key facts

- **NSF award ID:** 2545203
- **Awardee organization:** University of Virginia Main Campus (VA)
- **SAM.gov UEI:** JJG6HU8PA4S5
- **PI:** Ayman M Karim
- **Primary program:** 01002324DB NSF RESEARCH & RELATED ACTIVIT
- **All programs:** CAS-Critical Aspects of Sustainability, Clean Energy Technology, COMPUTATIONAL SCIENCE & ENGING
- **Estimated total:** $182,589
- **Funds obligated:** $55,390
- **Transaction type:** Standard Grant
- **Period:** 07/01/2025 → 05/31/2027

## Primary source

NSF Award Search: https://www.nsf.gov/awardsearch/showAward?AWD_ID=2545203

## Citation

> US National Science Foundation, Award 2545203, Collaborative Research: Structure, Dynamics, and Catalysis with Dilute Bimetallic and Single Atom Alloy Nanoparticles. Retrieved via AI Analytics 2026-06-07 from https://api.ai-analytics.org/grant/nsf/2545203. Licensed CC0.

---

*[NSF Awards dataset](/datasets/nsf-awards) · CC0 1.0*