分子
金属有机骨架
多孔性
化学物理
密度泛函理论
材料科学
水的性质
化学极性
金属
化学
纳米技术
化学工程
吸附
计算化学
物理化学
有机化学
复合材料
工程类
冶金
作者
Nikita Hanikel,Xiaokun Pei,Saumil Chheda,Hao Lyu,WooSeok Jeong,Joachim Sauer,Laura Gagliardi,Omar M. Yaghi
出处
期刊:Science
[American Association for the Advancement of Science]
日期:2021-10-22
卷期号:374 (6566): 454-459
被引量:450
标识
DOI:10.1126/science.abj0890
摘要
Designing water uptake Although the locations of water molecules in some porous materials have been determined with diffraction techniques, determining the filling sequence of water sites has been challenging. Hanikel et al . used single-crystal x-ray diffraction to locate all of the water molecules in pores of the metal-organic framework MOF-303 at different water loadings (see the Perspective by Öhrström and Amombo Noa). They used this information on the water molecule adsorption sequence to modify the linkers of this MOF and control the water-harvesting properties from humid air for different temperature regimes. —PDS
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