Molecular CO2 Storage: State of a Single-Molecule Gas

IF 3.7 Q2 CHEMISTRY, PHYSICAL
Yoshifumi Hashikawa*, Shumpei Sadai and Yasujiro Murata*, 
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引用次数: 0

Abstract

CO2 evolution is one of the urgent global issues; meanwhile, understanding of sorptive/dynamic behavior is crucial to create next-generation encapsulant materials with stable sorbent processes. Herein, we showcase molecular CO2 storage constructed by a [60]fullerenol nanopocket. The CO2 density reaches 2.401 g/cm3 within the nanopore, showing strong intramolecular interactions, which induce nanoconfinement effects such as forbidden translation, restricted rotation, and perturbed vibration of CO2. We also disclosed an equation of state for a molecular CO2 gas, revealing a very low pressure of 3.14 rPa (1 rPa = 10–27 Pa) generated by the rotation/vibration at 300 K. Curiously enough, the CO2 capture enabled to modulate an external property of the encapulant material itself, i.e., association of the [60]fullerenol via intercage hydrogen-bonding.

Abstract Image

Abstract Image

二氧化碳分子存储:单分子气体的状态
二氧化碳的演化是全球亟待解决的问题之一;同时,了解吸附/动力学行为对于创造具有稳定吸附过程的下一代封装材料至关重要。在此,我们展示了由[60]富勒烯醇纳米口袋构建的二氧化碳分子存储。二氧化碳在纳米孔内的密度达到 2.401 克/立方厘米,显示出很强的分子内相互作用,诱发了二氧化碳的禁止平移、限制旋转和扰动振动等纳米约束效应。我们还揭示了二氧化碳分子气体的状态方程,发现在 300 K 时旋转/振动产生的压力非常低,仅为 3.14 rPa(1 rPa = 10-27 Pa)。奇怪的是,二氧化碳捕获能够调节封装材料本身的外部属性,即通过笼间氢键与 [60] 富勒烯醇结合。
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来源期刊
CiteScore
3.70
自引率
0.00%
发文量
0
期刊介绍: ACS Physical Chemistry Au is an open access journal which publishes original fundamental and applied research on all aspects of physical chemistry. The journal publishes new and original experimental computational and theoretical research of interest to physical chemists biophysical chemists chemical physicists physicists material scientists and engineers. An essential criterion for acceptance is that the manuscript provides new physical insight or develops new tools and methods of general interest. Some major topical areas include:Molecules Clusters and Aerosols; Biophysics Biomaterials Liquids and Soft Matter; Energy Materials and Catalysis
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