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Ti Substitution-Induced Inter-Site Distance Effect (ISDE) in Hierarchical Porous Cobalt Titanium Oxide Promoting
Bo Yuan1, Fang Wang2, Yifu Zhang3
1College of Chemistry and Molecular Sciences, Wuhan University, Wuhan 430072, China.
ACS Applied Materials & Interfaces
|May 27, 2026
Summary
High-efficiency catalysts for solid rocket propellants (SRPs) were developed using hierarchical porous Co2TiO4 nanoflowers. Ti4+ substitution induced an intersite distance effect (ISDE), significantly enhancing ammonium perchlorate (AP) decomposition.
Area of Science:
- Materials Science
- Catalysis
- Chemical Engineering
Background:
- Solid rocket propellants (SRPs) rely on ammonium perchlorate (AP) decomposition for efficiency.
- Developing effective catalysts and understanding their mechanisms for AP decomposition is crucial.
- Current challenges include enhancing catalytic activity and selectivity for improved energy release.
Purpose of the Study:
- To investigate the catalytic performance and mechanism of hierarchical porous Co2TiO4 nanoflower catalysts for AP thermal decomposition.
- To explore the role of Ti4+ substitution and the resulting intersite distance effect (ISDE) on catalytic activity.
- To provide a theoretical framework for designing advanced catalysts for energetic materials.
Main Methods:
- Synthesis of hierarchical porous Co2TiO4 nanoflower catalysts with controlled Co-Co active site distances.
- Systematic investigation of catalytic performance for AP thermal decomposition.
- Density functional theory (DFT) calculations to elucidate reaction mechanisms and electronic structure changes.
Main Results:
- Ti4+ substitution in Co2TiO4 created an ISDE, enhancing electronic synergy and catalytic performance.
- The ISDE optimized the electronic structure of Co sites, improving adsorption and activation of intermediates.
- Achieved 48.4% selectivity for NO2, accelerated decomposition, and concentrated exothermic behavior.
- DFT confirmed Ti substitution facilitates N-H and Cl-O bond cleavage.
Conclusions:
- The intersite distance effect (ISDE) is critical for mediating catalytic activity in AP decomposition.
- Hierarchical porous Co2TiO4 nanoflowers with Ti4+ substitution offer a new paradigm for high-performance catalysts.
- This research provides insights for designing advanced bimetallic oxide catalysts for SRPs and other energetic applications.
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