可商业扩展的 CALF-20 的氢储存:低温和近常温研究†。

IF 2.6 3区 化学 Q2 CHEMISTRY, MULTIDISCIPLINARY
CrystEngComm Pub Date : 2024-10-14 DOI:10.1039/D4CE00861H
Ashley L. Sutton, M. Munir Sadiq, James I. Mardel and Matthew R. Hill
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引用次数: 0

摘要

实验研究了金属有机框架(MOF)CALF-20 在低温和近常温下的储氢能力。该框架的孔隙大小几乎是低温储氢的理想选择。密度泛函理论 (DFT) 研究深入揭示了 CALF-20 中的氢结合位点。
本文章由计算机程序翻译,如有差异,请以英文原文为准。

Hydrogen storage of commercially scalable CALF-20: a study at cryogenic and near-ambient temperatures†

Hydrogen storage of commercially scalable CALF-20: a study at cryogenic and near-ambient temperatures†

The hydrogen storage capabilities of the metal–organic framework (MOF) CALF-20 are examined experimentally with both cryogenic and near-ambient temperatures. This framework has a pore size that is nearly ideal for cryogenic hydrogen storage. Density functional theory (DFT) studies provide insights into the hydrogen binding sites within CALF-20.

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来源期刊
CrystEngComm
CrystEngComm 化学-化学综合
CiteScore
5.50
自引率
9.70%
发文量
747
审稿时长
1.7 months
期刊介绍: Design and understanding of solid-state and crystalline materials
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