Design of pentagonal NbX monolayers for electronics and electrocatalysis
文献类型：期刊论文
| 作者 | Chen, Wenzhou; Yang, Ming; Sun, Yi-Yang; Kawazoe, Yoshiyuki; Shi, Xingqiang; Pan, Hui |
| 刊名 | APPLIED SURFACE SCIENCE
 |
| 出版日期 | 2019-06-15 |
| 卷号 | 479页码:595 |
| 关键词 | Two-dimensional materials First-principles calculations Electronics Hydrogen evolution reaction |
| ISSN号 | 0169-4332 |
| DOI | 10.1016/j.apsusc.2019.02.110 |
| 文献子类 | Article |
| 英文摘要 | Two-dimensional (2D) materials with versatile properties are promising for diverse applications. In this work, a new family of 2D pentagonal NbX (penta-NbX, X = S, Se or Te) monolayers are designed to achieve the objectives. We demonstrate that these new materials are stable against mechanical strains, lattice dynamics and thermal fluctuations, because of the co-existence of ionic and covalent bonding between the Nb and X elements in these materials. We find that penta-NbX changes from metal to semiconductor as X changes from S/Se to Te. We show that penta-NbTe is a direct band-gap semiconductor with ultra-high carrier mobility (in the order of similar to 10(4) cm(2) V-1 s(-1)), which is higher than or comparable to that of most 2D semiconductors and promising for ultra-fast electronics. We further show that metallic penta-NbS are catalytically active for hydrogen evolution reaction because of its low overpotential over a wide range of hydrogen coverages. We expect that the penta-NbX monolayers may find applications in electronics and electrocatalysis. |
| WOS研究方向 | Chemistry ; Materials Science ; Physics |
| 语种 | 英语 |
| 出版者 | ELSEVIER SCIENCE BV |
| 源URL | [http://ir.sic.ac.cn/handle/331005/27050]  |
| 专题 | 中国科学院上海硅酸盐研究所 |
| 推荐引用方式 GB/T 7714 | Chen, Wenzhou,Yang, Ming,Sun, Yi-Yang,et al. Design of pentagonal NbX monolayers for electronics and electrocatalysis[J]. APPLIED SURFACE SCIENCE,2019,479:595. |
| APA | Chen, Wenzhou,Yang, Ming,Sun, Yi-Yang,Kawazoe, Yoshiyuki,Shi, Xingqiang,&Pan, Hui.(2019).Design of pentagonal NbX monolayers for electronics and electrocatalysis.APPLIED SURFACE SCIENCE,479,595. |
| MLA | Chen, Wenzhou,et al."Design of pentagonal NbX monolayers for electronics and electrocatalysis".APPLIED SURFACE SCIENCE 479(2019):595. |
入库方式： OAI收割
来源：上海硅酸盐研究所
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