Water Dynamics in Nanoporous Silica: Ultrafast Vibrational Spectroscopy and Molecular Dynamics Simulations
نویسندگان
چکیده
منابع مشابه
Dynamics and vibrational spectroscopy of water at hydroxylated silica surfaces.
In the present study, the structural and dynamical properties of water at hydroxylated silica surfaces are investigated with classical molecular dynamics simulations. Depending on the nature of the interface, water molecules are observed to have well defined ordering and slower dynamics compared to bulk water. These properties include the orientation of water near the surface, reorientational r...
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ژورنال
عنوان ژورنال: The Journal of Physical Chemistry C
سال: 2019
ISSN: 1932-7447,1932-7455
DOI: 10.1021/acs.jpcc.9b00593