Adsorption of H2 on aluminum-based metal-organic frameworks: A computational study
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- 作者：Liangzhi Xia ; 15004110853@163.com" class="auth_mail" title="E-mail the corresponding author ; Qing Liu
- 关键词：Hydrogen adsorption ; Al-based MOFs ; GCMC ; Adsorption sites
- 刊名：Computational Materials Science
- 出版年：2017
- 出版时间：January 2017
- 年：2017
- 卷：126
- 期：Complete
- 页码：176-181
- 全文大小：1990 K
文摘
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Predict adsorption isotherms for hydrogen in aluminum-based MOFs.
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Study the adsorption mechanism in aluminum-based MOFs.
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Analyze the preferred adsorption sites of H2 in aluminum-based MOFs.
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Provides a theoretical guide for the design and synthesis of MOF materials with highly efficient hydrogen storage.