- Abstract:
-
Classical molecular dynamics simulations point to an anisotropy of water-water hydrogen bonding at the water surface. Approaching from the gas phase, a region of primarily dangling hydrogens is followed by dangling oxygens before the isotropic bulk region. Using ab initio calculations, we translate this hydrogen bonding anisotropy to charge transfer between water molecules, which we analyze with respect to both instantaneous and averaged positions of the water surface. Similarly to the oil/wa...
Expand abstract - Publisher copy:
- 10.1021/jz2014852
-
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- Journal:
- Journal of Physical Chemistry Letters
- Volume:
- 3
- Issue:
- 1
- Pages:
- 107-111
- Publication date:
- 2012-01-05
- DOI:
- EISSN:
-
1948-7185
- ISSN:
-
1948-7185
- URN:
-
uuid:8ffc8764-71e3-494a-b93f-529dfde722c1
- Source identifiers:
-
353609
- Local pid:
- pubs:353609
- Language:
- English
- Copyright date:
- 2012
Journal article
Charge transfer between water molecules as the possible origin of the observed charging at the surface of pure water
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