论文标题

软纳米孔中的水吸附

Water Adsorption in Soft and Heterogeneous Nanopores

论文作者

Coudert, François-Xavier

论文摘要

限制下的液体在行为上与其大量对应物不同,并且可以获取特定于狭窄相并与宿主基质的性质和结构相关的特性。虽然受到关注的液态水不是研究的新话题,但在过去的几年中,人们看到了一系列有趣的纳米级毛孔中水的新颖特征。这些不寻常的特性来自纳米多孔材料的非常具体的性质:称为“软多孔晶体”,它们将大规模柔韧性与异质内表面结合在一起。这为吸附的水创造了丰富的行为多样性,并且必须在各种规模上使用不同的实验表征技术以及计算化学的组合来了解观察到的现象及其显微镜。感兴趣系统范围跨越了整个化学范围,从无机(沸石,imogolites)到有机(微孔碳,石墨烯及其衍生物),甚至涵盖混合有机 - 有机系统(例如金属 - 有机框架)。

Liquids under confinement differ in behavior from their bulk counterparts and can acquire properties that are specific to the confined phase and linked to the nature and structure of the host matrix. While confined liquid water is not a new topic of research, the past few years have seen a series of intriguing novel features for water inside nanoscale pores. These unusual properties arise from the very specific nature of nanoporous materials: termed "soft porous crystals", they combine large-scale flexibility with a heterogeneous internal surface. This creates a rich diversity of behavior for the adsorbed water, and the combination of different experimental characterization techniques along with computational chemistry at various scales is necessary to understand the phenomena observed, and their microscopic origins. The range of systems of interest span the whole chemical range, from the inorganic (zeolites, imogolites) to the organic (microporous carbons, graphene and its derivatives) and even encompass the hybrid organic--inorganic systems (such as metal--organic frameworks).

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