Unraveling Water–Nanomaterial Interactions
A special issue of Entropy (ISSN 1099-4300). This special issue belongs to the section "Thermodynamics".
Deadline for manuscript submissions: 30 April 2026 | Viewed by 92
Special Issue Editors
Interests: biophysics; physical chemistry; physical biology; bio-spectroscopy; biotechnology; nanotechnology; radiation bio-effects; low-temperature plasma technology
Interests: density functional theory (DFT); molecular dynamics (MD) simulations; 2D materials; heterogeneous catalysis; photocatalysis; charge transfer mechanism; electronic structure; band gap engineering; surface chemistry
Special Issue Information
Dear Colleagues,
At nanoscale solid–liquid interfaces, water adopts structures and dynamics that differ fundamentally from the bulk, with far-reaching consequences for stability, reactivity, and transport. The unique properties of nanomaterials, particularly their high surface-to-volume ratio, surface heterogeneity, and quantum effects, profoundly influence their interactions with water. These reciprocal influences reorganize hydrogen bond networks, alter hydration shells, and regulate surface charge, organization, and colloidal stability. They also dictate self-assembly and conformational behavior in biological macromolecules such as proteins and membranes. Collectively, these interactions govern the function and environmental fate of nanomaterials across applications in nanomedicine, catalysis, biosensing, environmental remediation, and energy storage.
Understanding the entropic contributions to these interfacial phenomena is essential. Translational and rotational entropy of water and ions, configurational entropy of flexible biomolecules, and excess entropy from confinement all combine with enthalpic interactions to shape free-energy landscapes. These balances determine hydration, adsorption, wetting–dewetting transitions, and protein corona formation, while water reciprocally modulates nanomaterial stability, aggregation, and reactivity. Recent advances in spectroscopy, calorimetry, scattering, and molecular simulations now make it possible to quantify these contributions with unprecedented precision.
This Special Issue of Entropy invites original research, comprehensive reviews, and short communications that elucidate entropic and energetic principles at water–nanomaterial interfaces, in and out of equilibrium. Topics may include hydration thermodynamics and kinetics, confined-water dynamics, protein–nanoparticle and membrane interfaces, catalytic and electrochemical interphases, and entropy-guided design for drug delivery, biosensing, and environmental remediation. Interdisciplinary studies integrating experiments, theory, and computation are especially encouraged.
Potential topics/sub-themes may include the following:
- Thermodynamics and kinetics of water adsorption, desorption, and interfacial transport
- Entropic contributions to protein folding, misfolding, and corona formation at nanoparticle surfaces
- Structure and dynamics of confined and interfacial water in pores, channels, and on curved surfaces
- Excess entropy and free-energy landscapes of hydration and wetting–dewetting transitions
- Computational approaches (Molecular Dynamics, Monte Carlo, Density Functional Theory) exploring water structuring and dynamics near nanomaterials.
- Experimental characterization of hydration shells and interfacial water using spectroscopy (SFG/SHG, Raman, THz, 2D-IR), scattering, calorimetry, and NMR
- Role of hydration entropy in catalysis, photocatalysis, and electrochemical reactions at aqueous interfaces
- Entropy-driven self-assembly, aggregation, and hierarchical organization of nanomaterials in aqueous environments
- Hydration effects on nanoparticle transport, biocompatibility, and environmental fate
- Entropy- and thermodynamics-guided strategies for designing water–nanomaterial interfaces for applications in drug delivery, biosensing, separations, and water purification
Prof. Dr. Qing Huang
Dr. Amil Aligayev
Guest Editors
Manuscript Submission Information
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Keywords
- nanomaterials
- nanoparticles
- proteins
- water interface
- hydration
- thermodynamics
- kinetics
- surface chemistry
- self-assembly
- colloidal stability
- biocompatibility
- confined water
- spectroscopy
- molecular dynamics
- density functional theory
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