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Two-Dimensional AuMX2 (M = Al, Ga, In; X = S, Se) Monolayers Featuring Intracrystalline Aurophilic Interactions with Novel Electronic and Optical Properties
Wu, QS; Xu, WW; Ma, L; Wang, JL; Zeng, XC
2018
Source PublicationACS APPLIED MATERIALS & INTERFACES
ISSN1944-8244
Volume10Issue:19Pages:16739-16746
Subtype期刊论文
Abstract

Aurophilicity, known as aurophilic interaction, is a strong attractive van der Waals interaction between cationic gold(I) centers, whose strength is comparable to the hydrogen bond. Here, we show that aurophilicity can serve as an engineering approach to expand the structural dimensionality for nanomaterials design. Specifically, based on a global structure search method and density functional theory calculations, we predict a series of stable two-dimensional (2D) AuMX2 (M = Al, Ga, In; X = S, Se) structures featuring intracrystalline aurophilic interactions. All the AuMX2 monolayers designed are semiconductors with moderate band gaps, excellent carrier mobilities, and good optical properties. The intriguing chemistry of aurophilicity coupled with novel electronic properties render AuMX2 monolayers a potentially new series of 2D materials that are of fundamental importance in gold chemistry and of technological importance for nanoelectronics.

KeywordIncrease Structural Dimensionality Metal-metal Interactions Theoretical Chemistry Excited-state Solid-state Gold Localization Shell Luminescence Attraction
DOI10.1021/acsami.8b02820
Indexed BySCI
Language英语
WOS IDWOS:000432753800058
Citation statistics
Cited Times:3[WOS]   [WOS Record]     [Related Records in WOS]
Document Type期刊论文
Identifierhttp://ir.sinap.ac.cn/handle/331007/29201
Collection中科院上海应用物理研究所2011-2018年
Affiliation1.Wu, QS
2.Xu, WW
3.Ma, L
4.Wang, JL
5.Zeng, XC
Recommended Citation
GB/T 7714
Wu, QS,Xu, WW,Ma, L,et al. Two-Dimensional AuMX2 (M = Al, Ga, In; X = S, Se) Monolayers Featuring Intracrystalline Aurophilic Interactions with Novel Electronic and Optical Properties[J]. ACS APPLIED MATERIALS & INTERFACES,2018,10(19):16739-16746.
APA Wu, QS,Xu, WW,Ma, L,Wang, JL,&Zeng, XC.(2018).Two-Dimensional AuMX2 (M = Al, Ga, In; X = S, Se) Monolayers Featuring Intracrystalline Aurophilic Interactions with Novel Electronic and Optical Properties.ACS APPLIED MATERIALS & INTERFACES,10(19),16739-16746.
MLA Wu, QS,et al."Two-Dimensional AuMX2 (M = Al, Ga, In; X = S, Se) Monolayers Featuring Intracrystalline Aurophilic Interactions with Novel Electronic and Optical Properties".ACS APPLIED MATERIALS & INTERFACES 10.19(2018):16739-16746.
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