Abstracts of the 3rd International Electronic Conference on Catalysis Sciences

of 64Ammonia synthesis is crucial for global fertilizer production, traditionally relying on iron-based catalysts in the Haber-Bosch process [1,2].However, the limitations of iron catalysts-such as low reaction rates and susceptibility to deactivation-have driven interest in alternative catalysts, particularly Ru-, Co-and high-entropy-based transition metal systems.The use of promoters, both in single and double settings, has become key to enhancing the efficiency and stability of these transition metal catalysts [3].This presentation focuses on the role of various promoters in optimizing Ru-, Co-and Fe-based catalysts, exploring their mechanisms and potential to advance ammonia synthesis.Results: The inclusion of promoters such as K 2 O, Ba, Ce, or BaO, among others, significantly enhances the catalytic performance of Ru-, Co-and Fe-based catalysts.For iron, these promoters improve the adsorption of N 2 and its dissociation, leading to higher ammonia yields and longer catalyst lifespans.In cobalt-based systems, these promoters stabilize the active metal sites and promote efficient nitrogen dissociation within a temperature range of below 500 C. The promoters modify the electronic properties of the catalysts, improving their overall efficiency.The nature of the rate-determining step cannot always be limited to N 2 decomposition; it can also involve other hydrogenation steps.Conclusion: Promoters are crucial in optimizing the performance of transition metal catalysts in ammonia synthesis.These promoters enhance catalyst stability, increase reaction rates, and suppress deactivation, offering a promising pathway for more efficient and sustainable ammonia production.Future research should focus on refining promoter-metal interactions to further improve catalyst performance and reduce energy consumption.

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Published
2025-12-18
DOI
https://doi.org/10.3390/chemproc2025017013
Primary Topic
Machine Learning in Materials Science
Type
article
Field-Weighted Citation Impact
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article

Abstracts of the 3rd International Electronic Conference on Catalysis Sciences

Evangelos Topakas, Keith L. Hohn
Machine Learning in Materials Science
article

Abstracts of the 3rd International Electronic Conference on Catalysis Sciences

Evangelos Topakas, Keith L. Hohn
article en

Abstract

of 64Ammonia synthesis is crucial for global fertilizer production, traditionally relying on iron-based catalysts in the Haber-Bosch process [1,2].However, the limitations of iron catalysts-such as low reaction rates and susceptibility to deactivation-have driven interest in alternative catalysts, particularly Ru-, Co-and high-entropy-based transition metal systems.The use of promoters, both in single and double settings, has become key to enhancing the efficiency and stability of these transition metal catalysts [3].This presentation focuses on the role of various promoters in optimizing Ru-, Co-and Fe-based catalysts, exploring their mechanisms and potential to advance ammonia synthesis.Results: The inclusion of promoters such as K 2 O, Ba, Ce, or BaO, among others, significantly enhances the catalytic performance of Ru-, Co-and Fe-based catalysts.For iron, these promoters improve the adsorption of N 2 and its dissociation, leading to higher ammonia yields and longer catalyst lifespans.In cobalt-based systems, these promoters stabilize the active metal sites and promote efficient nitrogen dissociation within a temperature range of below 500 C. The promoters modify the electronic properties of the catalysts, improving their overall efficiency.The nature of the rate-determining step cannot always be limited to N 2 decomposition; it can also involve other hydrogenation steps.Conclusion: Promoters are crucial in optimizing the performance of transition metal catalysts in ammonia synthesis.These promoters enhance catalyst stability, increase reaction rates, and suppress deactivation, offering a promising pathway for more efficient and sustainable ammonia production.Future research should focus on refining promoter-metal interactions to further improve catalyst performance and reduce energy consumption.

National Technical University of Athens (GR), Kansas State University (US)
Russian Science Foundation, Lomonosov Moscow State University
Openalex Percentile: Top 49%
Machine Learning in Materials Science
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