ArticleACS omega2026
Capacity and Selectivity for Carbon Dioxide on Lignin-Derived Adsorbents via Molecular Simulation.
Article in ACS omega, 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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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
3 authors.
Funding
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Abstract
In pursuit of cost-effective and environmentally benign materials for carbon capture applications, this study investigates the effectiveness of carbon quantum dots (CQDs) and lignin-derived carbon composites as sustainable materials for selective carbon dioxide capture. Classical grand canonical Monte Carlo (GCMC) and molecular dynamics (MD) simulations are employed to examine the adsorption behavior, binding energy, and selectivity of different functionalized CQDs on graphite and lignin-based carbon composite (LBCC) substrates. Four types of CQDs were studied: amine-functionalized, nitrogen-doped, carboxyl-functionalized, and hydroxyl-functionalized. Our simulations reveal that while all CQD types preferentially adsorb CO
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Registered trials
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