水在水和纳米限制条件下的行为结构决定因素
A structural determinant of the behavior of water at hydration and nanoconfinement conditions
AI总结:
本文揭示水要求第二分子壳层收缩和重取向以补偿配位缺陷的分子原理,该原理是两种液体情景的核心,决定水在水和纳米限制下的行为,并可用于定义润湿性条件以阐明水的积极作用。
摘要:
液态水不愿失去氢键配位。在此我们揭示,它还要求第二分子壳层的收缩和重取向以补偿配位缺陷。这样的分子原理将被证明是两种液体情景的核心,并决定水在水和纳米限制下的行为。此外,它允许定义润湿性条件(量化疏水性并预测干涸转变),从而开启阐明水在核心研究领域中积极作用的可能性。
英文摘要:
Liquid water is reluctant to lose hydrogen-bond coordination. Here we reveal that it also demands contraction and reorientation of the second molecular shell to compensate for coordination defects. Such molecular principle will be shown to lie at the heart of the two-liquids scenario and to determine the behavior of water in hydration and nanoconfinement. Furthermore, it allows to define conditions for wettability (quantifying hydrophobicity and predicting drying transitions), thus opening the possibility to elucidate the active role of water in central fields of research.
机构、总结、中文摘要均由AI分析而来,可能存在错误,请以论文正文为准。