Stability and strength of atomically thin borophene from first principles calculations
文献类型：期刊论文
| 作者 | Zhang, David Wei; Peng, Bo; Zhang, Hao; Shao, Hezhu; Ning, Zeyu; Xu, Yuanfeng; Ni, Gang; Lu, Hongliang; Zhu, Heyuan |
| 刊名 | MATERIALS RESEARCH LETTERS
 |
| 出版日期 | 2017 |
| 卷号 | 5期号:6页码:399-407 |
| ISSN号 | 2166-3831 |
| 英文摘要 | A new 2D material, borophene, has been grown successfully recently on single crystal Ag substrates. Three main structures have been proposed (beta(12), chi(3) and striped borophene). However, the stability of three structures is still in debate. Using first principles calculations, we examine the dynamical, thermodynamical and mechanical stability of beta(12), chi(3) and striped borophene. Free-standing beta(12) and chi(3) borophene is dynamically, thermodynamically and mechanically stable, while striped borophene is dynamically and thermodynamically unstable due to high stiffness along a direction. The origin of high stiffness and high instability in striped borophene along a direction can both be attributed to strong directional bonding. Our work shows a deep connection between stability and strength, and helps researchers to estimate accurately the mechanical performance of 2D materials.[GRAPHICS]IMPACT STATEMENTA benchmark for examining the relative stability of different structures of borophene is provided.Strong directional bonding in striped borophene leads to high stiffness and high brittleness. |
| 公开日期 | 2017-12-25 |
| 源URL | [http://ir.nimte.ac.cn/handle/174433/14056]  |
| 专题 | 2017专题 |
| 推荐引用方式 GB/T 7714 | Zhang, David Wei,Peng, Bo,Zhang, Hao,et al. Stability and strength of atomically thin borophene from first principles calculations[J]. MATERIALS RESEARCH LETTERS,2017,5(6):399-407. |
| APA | Zhang, David Wei.,Peng, Bo.,Zhang, Hao.,Shao, Hezhu.,Ning, Zeyu.,...&Zhu, Heyuan.(2017).Stability and strength of atomically thin borophene from first principles calculations.MATERIALS RESEARCH LETTERS,5(6),399-407. |
| MLA | Zhang, David Wei,et al."Stability and strength of atomically thin borophene from first principles calculations".MATERIALS RESEARCH LETTERS 5.6(2017):399-407. |
入库方式： OAI收割
来源：宁波材料技术与工程研究所
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