ArticleEnvironmental science & technology2026
Metal-Site Reducibility Governs C-H Activation and PAH Degradation in Ion-Exchanged Bentonite.
Article in Environmental science & technology, 2026. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Not yet cited in PubMed.
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5 authors.
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Abstract
Polycyclic aromatic hydrocarbons (PAHs) are persistent soil contaminants commonly associated with terrestrial oil spills and creosote sites, requiring remediation to protect human health and restore environmental quality. Previous work showed that transition-metal cations introduced into clays can catalyze PAH pyrolysis, lowering the temperatures required for thermal remediation and reducing treatment costs. However, the catalytic role of these ion-exchanged metals remains poorly understood. Here, we investigate how transition-metal cations function as active sites for PAH degradation by enhancing adsorption and initiating catalytic pyrolysis. Density functional theory calculations were used to examine PAH adsorption on bentonite surfaces doped with transition-metal cations spanning different regions of the periodic table and exhibiting varied oxidation states and redox flexibility. The results show that site reactivity toward PAHs is governed by metal-site reducibility. Reducible cations such as Fe
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