Au6S2 monolayer sheets: metallic and semiconducting polymorphs
文献类型：期刊论文
| 作者 | Wu, QS; Xu, WW; Qu, BY; Ma, L; Niu, XH; Wang, JL; Zeng, XC |
| 刊名 | MATERIALS HORIZONS
 |
| 出版日期 | 2017 |
| 卷号 | 4期号:6页码:1085-1091 |
| 关键词 | Theoretical Prediction Global Minimum Gold Clusters Decanuclear Transformation Aurophilicity Nanoparticles Nanoclusters Transistors |
| ISSN号 | 2051-6347 |
| DOI | 10.1039/c7mh00461c |
| 文献子类 | 期刊论文 |
| 英文摘要 | Gold-sulfur interfaces, including self-assembled monolayers of thiol molecules on gold surfaces, thiolate-protected gold nanoclusters, and gold sulfide complexes, have attracted intensive interest due to their promising applications in electrochemistry, bioengineering, and nanocatalysis. Herein, we predict two hitherto unreported twodimensional (2D) Au6S2 monolayer polymorphs, named as G-Au6S2 and T-Au6S2. The global-minimumG-Au(6)S(2)monolayer can be viewed as a series of [-S-Au-](n) and [-Au4-](n) chains packed together in parallel. The metastable T-Au6S2 monolayer resembles the widely studied T-MoS2 monolayer structure with each Mo atom substituted with an octahedral Au-6 cluster, while the S atomis bondedwith three Au atoms in a l3 bridging mode. The G-Au6S2 monolayer is predicted to be metallic. The T-Au6S2 monolayer is predicted to be a semiconductor with a direct bandgap of 1.48 eV and high carrier mobility of 2721 cm(2) V-1 s(-1), B10 times higher than that of semiconducting H-MoS2. Moreover, the T-Au6S2 monolayer can absorb sunlight efficiently over almost the entire solar spectrum. These properties render the G-and T-Au6S2 monolayers promising materials for advanced applications in microelectronics and optoelectronics. |
| WOS关键词 | THEORETICAL PREDICTION ; GLOBAL MINIMUM ; GOLD ; CLUSTERS ; DECANUCLEAR ; TRANSFORMATION ; AUROPHILICITY ; NANOPARTICLES ; NANOCLUSTERS ; TRANSISTORS |
| 语种 | 英语 |
| WOS记录号 | WOS:000413945100010 |
| 源URL | [http://ir.sinap.ac.cn/handle/331007/28562]  |
| 专题 | 上海应用物理研究所_中科院上海应用物理研究所2011-2017年 |
| 推荐引用方式 GB/T 7714 | Wu, QS,Xu, WW,Qu, BY,et al. Au6S2 monolayer sheets: metallic and semiconducting polymorphs[J]. MATERIALS HORIZONS,2017,4(6):1085-1091. |
| APA | Wu, QS.,Xu, WW.,Qu, BY.,Ma, L.,Niu, XH.,...&Zeng, XC.(2017).Au6S2 monolayer sheets: metallic and semiconducting polymorphs.MATERIALS HORIZONS,4(6),1085-1091. |
| MLA | Wu, QS,et al."Au6S2 monolayer sheets: metallic and semiconducting polymorphs".MATERIALS HORIZONS 4.6(2017):1085-1091. |
入库方式： OAI收割
来源：上海应用物理研究所
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