ArticleACS omega2023
Water in PHI Nanopores: Modeling Adsorption, Solvent Structure, and Thermodynamics.
Article in ACS omega, 2023. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 3 papers.
What it found
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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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Who cites it
3 citing papers in PubMed.
- The Power of Tiny Spaces.JACS Au · 2026Review
- The CP2K Program Package Made Simple.The journal of physical chemistry. B · 2026Article
- Carbon nitride caught in the act of artificial photosynthesis.Nature communications · 2025Article
Corrections and comments
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Authors and funding
3 authors.
Funding
No grant is acknowledged in the PubMed record.
Abstract
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 first water molecules are bound with -94.5 kJ/mol, i.e., twice the cohesion energy of water and one of the highest adsorption enthalpies reported so far. This strong binding proceeds unexpectedly on a similar enthalpy level until the pore is filled, while the binding strength is passed through a conjugated water network. The tight binding is also expressed in calculated, strongly shortened O-O distances, which are on average about 5% shorter than in bulk water, which corresponds to a much higher water density, for a 2D structure above 1.1 g/ cm
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Registered trials
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