Transition metal Ti coated porous fullerene C24B24: Potential material for hydrogen storage
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- 作者：Chunmei Tang ; tcmnj@163.com" class="auth_mail" title="E-mail the corresponding author ; Shengwei Chen ; Weihua Zhu ; Jing Kang ; Xiang He ; Zhenjun Zhang
- 关键词：Fullerene ; C24B24 ; Hydrogen storage ; Density functional theory
- 刊名：International Journal of Hydrogen Energy
- 出版年：2015
- 出版时间：14 December 2015
- 年：2015
- 卷：40
- 期：46
- 页码：16271-16277
- 全文大小：1317 K
文摘
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Ti atoms can bind strongly the surface of Ti6C24B24 and do not suffer from clustering.
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Each Ti atom can store six hydrogen molecules with the moderate average adsorption energy per H2.
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The (Ti–6H2)6C24B24 can release more H2 molecules at higher temperature.