Au6S2 monolayer sheets: metallic and semiconducting polymorphs
Wu, QS; Xu, WW; Qu, BY; Ma, L; Niu, XH; Wang, JL; Zeng, XC
2017
发表期刊MATERIALS HORIZONS
ISSN2051-6347
卷号4期号:6页码:1085-1091
文章类型期刊论文
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.
关键词Theoretical Prediction Global Minimum Gold Clusters Decanuclear Transformation Aurophilicity Nanoparticles Nanoclusters Transistors
DOI10.1039/c7mh00461c
关键词[WOS]THEORETICAL PREDICTION ; GLOBAL MINIMUM ; GOLD ; CLUSTERS ; DECANUCLEAR ; TRANSFORMATION ; AUROPHILICITY ; NANOPARTICLES ; NANOCLUSTERS ; TRANSISTORS
收录类别SCI
语种英语
WOS记录号WOS:000413945100010
引用统计
文献类型期刊论文
条目标识符http://ir.sinap.ac.cn/handle/331007/28562
专题中科院上海应用物理研究所2011-2018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.
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