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篇目详细内容 |
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【篇名】 |
Ti-doped nano-porous graphene: A material for hydrogen storage and sensor |
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【刊名】 |
Frontiers of Physics |
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【刊名缩写】 |
Front. Phys |
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【ISSN】 |
2095-0462 |
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【EISSN】 |
2095-0470 |
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【DOI】 |
10.1007/s11467-011-0178-z |
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【出版社】 |
Higher Education Press and Springer-Verlag Berlin
Heidelberg |
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【出版年】 |
2011 |
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【卷期】 |
6
卷2期 |
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【页码】 |
204-208
页,共
5
页 |
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【作者】 |
Sa LI;
Hong-min ZHAO;
Puru JENA;
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【关键词】 |
nano-porous graphene; hydrogen storage; hydrogen sensor |
【摘要】 |
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Clustering of Ti on carbon nanostructures has proved to be an obstacle in their use as hydrogen storagematerials. Using density functional theory we show that Ti atoms will not cluster at moderate concentrations when doped into nanoporous graphene. Since each Ti atom can bind up to three hydrogen molecules with an average binding energy of 0.54？eV/H2, this material can be ideal for storing hydrogen under ambient thermodynamic conditions. In addition, nanoporous graphene is magnetic with or without Ti doping, but when it is fully saturated with hydrogen, the magnetism disappears. This novel feature suggests that nanoporous graphene cannot only be used for storing hydrogen, but also as a hydrogen sensor. |
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