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Updated: Apr 5, 2026

Bulk and Thin Film Synthesis of Compositionally Variant Entropy-stabilized Oxides

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Gas-Phase Neutral Binary Oxide Clusters: Distribution, Structure, and Reactivity toward CO.

Zhe-Chen Wang¹, Shi Yin¹, Elliot R Bernstein¹

¹Department of Chemistry, NSF ERC for Extreme Ultraviolet Science and Technology, Colorado State University, Fort Collins, Colorado 80523, United States.

The Journal of Physical Chemistry Letters

|August 21, 2015

Summary

Researchers generated and studied neutral vanadium-cobalt oxide clusters reacting with carbon monoxide. They found that VCoO4 reacts with CO to form VCoO3 and CO2, with detailed mechanisms explored.

Keywords:

CO oxidation DFT TOF-MS gas phase neutral oxide clusters single photon ionization

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Area of Science:

Physical Chemistry
Materials Science
Nanotechnology

Background:

Neutral binary oxide clusters are crucial in catalysis and materials science.
Understanding the reactivity of transition metal oxide clusters provides fundamental insights into chemical processes.
Gas-phase studies offer a controlled environment to investigate intrinsic cluster properties.

Purpose of the Study:

To synthesize and characterize neutral vanadium-cobalt oxide clusters in the gas phase.
To investigate the reactivity of these clusters with carbon monoxide (CO).
To elucidate the reaction mechanisms using both experimental and theoretical approaches.

Main Methods:

Generation and detection of neutral vanadium-cobalt oxide clusters using mass spectrometry.
Experimental reactivity studies involving the reaction of VCoO4 clusters with CO.
Computational investigations using Density Functional Theory (DFT) to model reaction pathways and energetics.

Main Results:

Successful generation and detection of neutral vanadium-cobalt oxide clusters in the gas phase for the first time.
Experimental evidence showing that neutral VCoO4 reacts with CO to yield VCoO3 and CO2.
DFT calculations confirmed the experimental findings and provided detailed insights into the reaction mechanism, including transition states and intermediates.

Conclusions:

Neutral vanadium-cobalt oxide clusters can be generated and studied in the gas phase.
The VCoO4 cluster exhibits reactivity towards carbon monoxide, undergoing oxidation to VCoO3 and CO2.
This study establishes a foundation for further investigations into the catalytic properties of such binary oxide clusters.