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| Au6S2 monolayer sheets: metallic and semiconducting polymorphs | |
| Wu, QS; Xu, WW; Qu, BY; Ma, L; Niu, XH; Wang, JL; Zeng, XC | |
| 2017 | |
| Source Publication | MATERIALS HORIZONS
 |
| ISSN | 2051-6347 |
| Volume | 4Issue:6Pages:1085-1091 |
| Subtype | 期刊论文 |
| Abstract | 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. |
| Keyword | Theoretical Prediction Global Minimum Gold Clusters Decanuclear Transformation Aurophilicity Nanoparticles Nanoclusters Transistors |
| DOI | 10.1039/c7mh00461c |
| Indexed By | SCI |
| WOS Keyword | THEORETICAL PREDICTION ; GLOBAL MINIMUM ; GOLD ; CLUSTERS ; DECANUCLEAR ; TRANSFORMATION ; AUROPHILICITY ; NANOPARTICLES ; NANOCLUSTERS ; TRANSISTORS |
| Language | 英语 |
| WOS ID | WOS:000413945100010 |
| Citation statistics | |
| Document Type | 期刊论文 |
| Identifier | http://ir.sinap.ac.cn/handle/331007/28562 |
| Collection | 中科院上海应用物理研究所2011-2019年 |
| Recommended Citation 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. |
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| Au6S2 monolayer shee（3952KB） | 期刊论文 | 作者接受稿 | 开放获取 | CC BY-NC-SA | View Download | |
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