biostudies-literatureUnknown128(39)Canovas MAThe critical levels of CO₂ emissions reached in the past decade have encouraged researchers into finding techniques to reduce the amount of anthropogenic CO₂ expelled to the atmosphere. One possibility is to capture the produced CO₂ from the source of emission or even from air (i.e., direct air capture) by porous materials (e.g., zeolites and MOFs). Among the different usages of captured CO₂, its conversion into light fuels such as methane, methanol, and formic acid is essential for ensuring the long-awaited circular economy. In the last years, single-atom catalysts encapsulated in zeolites have been considered to this purpose since they exhibit a high selectivity and activity with the minimum expression of catalytic species. In this study, a detThe journal of physical chemistry. C, Nanomaterials and interfaces16551-16562https://www.ebi.ac.uk/biostudies/studies/S-EPMC11459948biostudies-literatureCO<sub>2</sub> Hydrogenation on Ru Single-Atom Catalyst Encapsulated in Silicalite: a DFT and Microkinetic Modeling Study.PMC11459948Gracia ACanovas MASayos RGamallo PfalseCO<sub>2</sub> Hydrogenation on Ru Single-Atom Catalyst Encapsulated in Silicalite: a DFT and Microkinetic Modeling Study.The critical levels of CO₂ emissions reached in the past decade have encouraged researchers into finding techniques to reduce the amount of anthropogenic CO₂ expelled to the atmosphere. One possibility is to capture the produced CO₂ from the source of emission or even from air (i.e., direct air capture) by porous materials (e.g., zeolites and MOFs). Among the different usages of captured CO₂, its conversion into light fuels such as methane, methanol, and formic acid is essential for ensuring the long-awaited circular economy. In the last years, single-atom catalysts encapsulated in zeolites have been considered to this purpose since they exhibit a high selectivity and activity with the minimum expression of catalytic species. In this study, a det2024-01-01T00:00:00Z2024 Oct2025-04-04T02:01:35.589Z2025-04-04T02:01:35.589ZS-EPMC114599483938097110.1021/acs.jpcc.4c05941