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Zhiwen Zhou¹, Ping Liu², Fan Yang¹

¹State Key Laboratory of Catalysis, Dalian Institute of Chemical Physics, Chinese Academy of Sciences, Dalian 116023, China.

The Journal of Chemical Physics

|December 12, 2019

Summary

This summary is machine-generated.

This study reveals how iron oxide nanoclusters on platinum surfaces change structure with size and composition. Understanding these iron oxide nanoclusters is key for designing better catalysts.

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Area of Science:

Surface Science
Materials Science
Catalysis

Background:

Bimetallic catalysts under oxidizing conditions often feature metal oxide nanoclusters (NCs) on metal surfaces.
These NCs exhibit unique properties distinct from bulk materials, impacting catalytic performance.

Purpose of the Study:

To investigate the atomic and electronic structures of iron oxide (FeOₓ) nanoclusters on a platinum (Pt(111)) surface.
To understand how NC size, composition (Fe/O ratio), and edge termination influence structure.
To elucidate the interaction between FeOₓ NCs and the Pt(111) support.

Main Methods:

Utilized density functional theory (DFT) calculations.
Modeled triangular FeOₓ nanoclusters on Pt(111) with sizes from ~0.3 nm to ~2.2 nm.

Main Results:

The lattice structure of supported FeOₓ NCs varies with size, Fe/O ratio, and edge termination.
A strong FeOₓ-Pt interaction leads to heterogeneous atomic and electronic structures within the NCs.
Most iron atoms preferentially adsorb at threefold hollow sites on the Pt(111) surface.

Conclusions:

Identified catalytically active sites on supported FeOₓ nanoclusters.
Provides insights for designing highly active and stable oxide nanocatalysts for reactive environments.