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Inhibiting the Laydown of Polymeric Carbon and Simultaneously Promoting Its Facile Burn-Off during the Industrial-Scale Production of Hydrogen with Nickel-Based Catalysts: Insights from Ab Initio Calculations
This paper presents a computational study of the mechanistic models for the laydown of carbon species on nickel surface facets and the burn-off models for their gasification mechanism in methane steam reforming based on density functional theory. Insights into catalyst design strategies for achievin...
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
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MDPI
2022
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| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9823633/ https://www.ncbi.nlm.nih.gov/pubmed/36615950 http://dx.doi.org/10.3390/nano13010040 |