Spectral Similarity Masks Structural Diversity at Hydrophobic Water Interfaces
Princeton University · Tsinghua University · +4 more institutions
Abstract
The air-water and graphene-water interfaces represent quintessential examples of the liquid-gas and liquid-solid boundaries, respectively. While the sum-frequency generation (SFG) spectra of these interfaces show similarities, a consensus on their signals and interpretations has yet to be reached. Leveraging deep learning, we computed first-principles SFG spectra for both systems, addressing experimental discrepancies. Our findings reveal that similarities in SFG signals do not translate into comparable interfacial microscopic properties. Instead, graphene-water and air-water interfaces exhibit fundamental differences in SFG-active thicknesses, hydrogen-bonding networks, and surface dynamics. These…
Citation impact
- FWCI
- 59.01
- Percentile
- 99%
- References
- 71
Authors
8Topics & keywords
- Spectral line
- Similarity (geometry)
- Interface (matter)
- Surface finish
- Surface roughness
- Surface (topology)
- Clean water and sanitation