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Water in PHI Nanopores: Modeling Adsorption, Solvent Structure, and Thermodynamics
[Image: see text] We modeled the uptake of water molecules into the nanopores of potassium-polyheptazineimide (K-PHI), a 2D covalent material that is one of the best water-splitting photocatalysts to date possessing experimentally reported strong water binding. In the current models, we find that fi...
| Autores principales: | , , |
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
| Publicado: |
American Chemical Society
2023
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| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC10373457/ https://www.ncbi.nlm.nih.gov/pubmed/37521651 http://dx.doi.org/10.1021/acsomega.3c03308 |