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DOI | 10.1038/ncomms15697 |
Modification of boron nitride nanocages by titanium doping results unexpectedly in exohedral complexes | |
Li, Ruyi; Wang, Yang | |
2019-10-28 | |
发表期刊 | NATURE COMMUNICATIONS |
ISSN | 2041-1723 |
出版年 | 2019 |
卷号 | 10 |
文章类型 | Article |
语种 | 英语 |
国家 | Peoples R China |
英文摘要 | Despite their early experimental production and observation, the unambiguous molecular structures of metal-containing boron nitride (BN) nanocages still remain mysterious. It has been commonly assumed that this family of compounds has the metal atom confined inside the cage, just like their isoelectronic cousins, carbon metallofullerenes do. Here, we demonstrate that Ti(BN)(n) (n = 12-24) complexes have, unexpectedly, an exohedral structure instead of an endohedral one, which could be verified by collision-induced dissociation experiments. The predicted global minimum structures exhibit some common bonding features accounting for their high stability, and could be readily synthesized under typical conditions for generating BN nanoclusters. The Ti doping dramatically changes not only the cage topology, but the arrangement of B and N atoms, endowing the resultant compounds with potential for CO2 capture and nitrogen fixation. These findings may expand or alter the understanding of BN nanostructures functionalized with other transition metals. |
领域 | 资源环境 |
收录类别 | SCI-E |
WOS记录号 | WOS:000492836900005 |
WOS关键词 | RESOLUTION ELECTRON-MICROSCOPY ; HYDROGEN STORAGE ; ATOMIC STRUCTURES ; FULLERENE ; STABILITY ; NANOTUBES ; CLUSTERS ; NITROGEN ; SEPARATION ; PRESSURE |
WOS类目 | Multidisciplinary Sciences |
WOS研究方向 | Science & Technology - Other Topics |
URL | 查看原文 |
引用统计 | |
文献类型 | 期刊论文 |
条目标识符 | http://119.78.100.173/C666/handle/2XK7JSWQ/203352 |
专题 | 资源环境科学 |
作者单位 | Yangzhou Univ, Sch Chem & Chem Engn, Yangzhou 225002, Jiangsu, Peoples R China |
推荐引用方式 GB/T 7714 | Li, Ruyi,Wang, Yang. Modification of boron nitride nanocages by titanium doping results unexpectedly in exohedral complexes[J]. NATURE COMMUNICATIONS,2019,10. |
APA | Li, Ruyi,&Wang, Yang.(2019).Modification of boron nitride nanocages by titanium doping results unexpectedly in exohedral complexes.NATURE COMMUNICATIONS,10. |
MLA | Li, Ruyi,et al."Modification of boron nitride nanocages by titanium doping results unexpectedly in exohedral complexes".NATURE COMMUNICATIONS 10(2019). |
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