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...

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Detalles Bibliográficos
Autores principales: Heske, Julian, Kühne, Thomas D., Antonietti, Markus
Formato: Online Artículo Texto
Lenguaje:English
Publicado: American Chemical Society 2023
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

Internet

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

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