Carbon-tuned bonding method significantly enhanced the hydrogen storage of bn-li complexes
文献类型：期刊论文
| 作者 | Deng, Qing-ming1,2; Zhao, Lina1,2; Luo, You-hua4; Zhang, Meng4; Zhao, Li-xia4; Zhao, Yuliang1,2,3 |
| 刊名 | Nanoscale
 |
| 出版日期 | 2011 |
| 卷号 | 3期号:11页码:4824-4829 |
| ISSN号 | 2040-3364 |
| DOI | 10.1039/c1nr10741k |
| 通讯作者 | Zhao, lina(linazhao@ihep.ac.cn) |
| 英文摘要 | Through first-principles calculations, we found doping carbon atoms onto bn monolayers (bnc) could significantly strengthen the li bond on this material. unlike the weak bond strength between li atoms and the pristine bn layer, it is observed that li atoms are strongly hybridized and donate their electrons to the doped substrate, which is responsible for the enhanced binding energy. li adsorbed on the bnc layer can serve as a high-capacity hydrogen storage medium, without forming clusters, which can be recycled at room temperature. eight polarized h-2 molecules are attached to two li atoms with an optimal binding energy of 0.16-0.28 ev/h-2, which results from the electrostatic interaction of the polarized charge of hydrogen molecules with the electric field induced by positive li atoms. this practical carbon-tuned bn-li complex can work as a very high-capacity hydrogen storage medium with a gravimetric density of hydrogen of 12.2 wt%, which is much higher than the gravimetric goal of 5.5 wt % hydrogen set by the u.s. department of energy for 2015. |
| WOS关键词 | DENSITY-FUNCTIONAL THEORY ; BORON-NITRIDE NANOTUBES ; ORGANIC FRAMEWORKS ; ADSORPTION ; HYDROCARBONS ; WATER ; NI |
| WOS研究方向 | Chemistry ; Science & Technology - Other Topics ; Materials Science ; Physics |
| WOS类目 | Chemistry, Multidisciplinary ; Nanoscience & Nanotechnology ; Materials Science, Multidisciplinary ; Physics, Applied |
| 语种 | 英语 |
| WOS记录号 | WOS:000296659000049 |
| 出版者 | ROYAL SOC CHEMISTRY |
| URI标识 | http://www.irgrid.ac.cn/handle/1471x/2176086 |
| 专题 | 高能物理研究所 |
| 通讯作者 | Zhao, Lina |
| 作者单位 | 1.Chinese Acad Sci, CAS Key Lab Biomed Effects Nanomat & Nanosafety, Inst High Energy Phys, Beijing 100049, Peoples R China 2.Chinese Acad Sci, Natl Ctr Nanosci & Technol, Beijing 100049, Peoples R China 3.Natl Ctr Nanosci & Technol, Beijing 100190, Peoples R China 4.E China Univ Sci & Technol, Dept Phys, Shanghai 200237, Peoples R China |
| 推荐引用方式 GB/T 7714 | Deng, Qing-ming,Zhao, Lina,Luo, You-hua,et al. Carbon-tuned bonding method significantly enhanced the hydrogen storage of bn-li complexes[J]. Nanoscale,2011,3(11):4824-4829. |
| APA | Deng, Qing-ming,Zhao, Lina,Luo, You-hua,Zhang, Meng,Zhao, Li-xia,&Zhao, Yuliang.(2011).Carbon-tuned bonding method significantly enhanced the hydrogen storage of bn-li complexes.Nanoscale,3(11),4824-4829. |
| MLA | Deng, Qing-ming,et al."Carbon-tuned bonding method significantly enhanced the hydrogen storage of bn-li complexes".Nanoscale 3.11(2011):4824-4829. |
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来源：高能物理研究所
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