In situ nanoscale visualization of solvent effects on molecular crystal surfaces

Solvents can dramatically affect molecular crystals. Obtaining favorable properties for these crystals requires rational design based on molecular level understanding of the solid–solution interface. Here we show how atomic force microscopy combined with molecular dynamics simulations can be utilize...

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Bibliographic Details
Published in:CrystEngComm 2021-01, Vol.23 (16), p.2933-2937
Main Authors: Herzberg, Mikkel, Larsen, Anders S., Hassenkam, Tue, Madsen, Anders Ø., Rantanen, Jukka
Format: Article
Language:English
Subjects:
Atomic force microscopy
Crystal surfaces
Crystals
Ethanol
Hydrophobicity
Molecular dynamics
Solvent effect
Solvents
Surface properties
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Summary:Solvents can dramatically affect molecular crystals. Obtaining favorable properties for these crystals requires rational design based on molecular level understanding of the solid–solution interface. Here we show how atomic force microscopy combined with molecular dynamics simulations can be utilized for understanding critical surface properties, namely crystallinity and hydrophobicity, as crystals are exposed to water–ethanol mixtures. We report the formation of dynamic heterogeneous disordered surface (DHDS) layers at the solid–solution interface. The observed DHDS layer was affected by the solvent composition and a variation in the water–ethanol ratio caused significant changes in surface properties.
ISSN:1466-8033
1466-8033
DOI:10.1039/D1CE00209K