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• W4313550078 abstract "Ammonia (NH 3 ) is one of the basic chemicals in artificial fertilizers and a promising carbon-free energy storage carrier. Its industrial synthesis is typically realized via the Haber−Bosch process using traditional iron-based catalysts. Developing advanced catalysts that can reduce the N 2 activation barrier and make NH 3 synthesis more efficient is a long-term goal in the field. Most heterogeneous catalysts for N 2 -to-NH 3 conversion are multicomponent systems with singly dispersed metal clusters on supporting materials to activate N 2 and H 2 molecules. Herein, we report single-component heterogeneous catalysts based on 5 f actinide dioxide surfaces (ThO 2 and UO 2 ) with oxygen vacancies for N 2 -to-NH 3 conversion. The reaction cycle we propose is enabled by a dual-site mechanism, where N 2 and H 2 can be activated at different vacancy sites on the same surface; NH 3 is subsequently formed by H − migration on the surface via associative pathways. Oxygen vacancies recover to their initial states after the release of two molecules of NH 3 , making it possible for the catalytic cycle to continue. Our work demonstrates the catalytic activities of oxygen vacancies on 5 f actinide dioxide surfaces for N 2 activation, which may inspire the search for highly efficient, single-component catalysts that are easy to synthesize and control for NH 3 conversion." @default.
• W4313550078 created "2023-01-06" @default.
• W4313550078 creator A5004826834 @default.
• W4313550078 creator A5036625940 @default.
• W4313550078 creator A5086955828 @default.
• W4313550078 date "2023-01-05" @default.
• W4313550078 modified "2023-09-25" @default.
• W4313550078 title "N2-to-NH3 conversion by excess electrons trapped in point vacancies on 5f-element dioxide surfaces" @default.
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• W4313550078 doi "https://doi.org/10.3389/fchem.2022.1051496" @default.
• W4313550078 hasPubMedId "https://pubmed.ncbi.nlm.nih.gov/36688046" @default.

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