Specific water structure in a geo-inspired nanotube and interrelated dynamics
ACTA CRYSTALLOGRAPHICA A-FOUNDATION AND ADVANCES(2021)
摘要
Water in confined geometries or near surfaces exhibits radically different properties depending on its environment. The physics of the new states of water is often discussed in terms of the distortion of its tetrahedral local symmetry and/or in terms of the frustration of its hydrogen-bond network. At the extreme opposite of these views is the investigation of the physical properties of the molecules when they are isolated from each other. This is experimentally challenging and related studies are scarce [1,2,3].
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关键词
structure,dynamics,DFT,nanoconfinement
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