ArticleACS omega2025
First-Principles Study of the Interaction of Atomic and Molecular Chlorine with Graphene, Silicene, Phosphorene, and h-BN Monolayer.
Article in ACS omega, 2025. 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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The abstract states no effect estimate the extractor could read, or names no intervention and outcome on the map, so this paper lights no cell and moves no belief. It is still indexed, cited and linked below.
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Authors and funding
4 authors.
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Abstract
The environmental stability of 2D monolayers is critical for their applications across various technology-related fields. These monolayers can degrade when exposed to gaseous components in the environment, so minimizing these degrading effects is essential. In this paper, chlorine exposure to the 2D monolayers, specifically graphene, silicene, phosphorene, and h-BN monolayer, is investigated using van der Waals corrected density functional theory. The results find that atomic chlorine chemisorbs on graphene, h-BN, silicene, and phosphorene with adsorption energies of -1.09, -0.65, -3.10, and -1.74 eV/atom, and bond distances of 3.0, 2.6, 2.2, and 2.1 Å, respectively. In contrast, molecular Cl
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Registered trials
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