Two-Dimensional AuMX2 (M = Al, Ga, In; X = S, Se) Monolayers Featuring Intracrystalline Aurophilic Interactions with Novel Electronic and Optical Properties

Qisheng Wu, Wen Wu Xu, Liang Ma, Jinlan Wang, Xiao Cheng Zeng

Research output: Contribution to journalArticle

3 Citations (Scopus)

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.

Original languageEnglish (US)
Pages (from-to)16739-16746
Number of pages8
JournalACS Applied Materials and Interfaces
Volume10
Issue number19
DOIs
StatePublished - May 16 2018

Fingerprint

Gold
Electronic properties
Monolayers
Optical properties
Semiconductors
Nanoelectronics
Nanostructures
Carrier mobility
Beam plasma interactions
Nanostructured materials
Density functional theory
Hydrogen
Hydrogen bonds
Energy gap
Semiconductor materials

Keywords

  • aurophilicity
  • first-principles calculations
  • global structure search
  • gold chemistry
  • two-dimensional materials

ASJC Scopus subject areas

  • Materials Science(all)

Cite this

Two-Dimensional AuMX2 (M = Al, Ga, In; X = S, Se) Monolayers Featuring Intracrystalline Aurophilic Interactions with Novel Electronic and Optical Properties. / Wu, Qisheng; Xu, Wen Wu; Ma, Liang; Wang, Jinlan; Zeng, Xiao Cheng.

In: ACS Applied Materials and Interfaces, Vol. 10, No. 19, 16.05.2018, p. 16739-16746.

Research output: Contribution to journalArticle

@article{64482b52e21b4b86929cbc8ce78afcf2,
title = "Two-Dimensional AuMX2 (M = Al, Ga, In; X = S, Se) Monolayers Featuring Intracrystalline Aurophilic Interactions with Novel Electronic and Optical Properties",
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.",
keywords = "aurophilicity, first-principles calculations, global structure search, gold chemistry, two-dimensional materials",
author = "Qisheng Wu and Xu, {Wen Wu} and Liang Ma and Jinlan Wang and Zeng, {Xiao Cheng}",
year = "2018",
month = "5",
day = "16",
doi = "10.1021/acsami.8b02820",
language = "English (US)",
volume = "10",
pages = "16739--16746",
journal = "ACS applied materials & interfaces",
issn = "1944-8244",
publisher = "American Chemical Society",
number = "19",

}

TY - JOUR

T1 - Two-Dimensional AuMX2 (M = Al, Ga, In; X = S, Se) Monolayers Featuring Intracrystalline Aurophilic Interactions with Novel Electronic and Optical Properties

AU - Wu, Qisheng

AU - Xu, Wen Wu

AU - Ma, Liang

AU - Wang, Jinlan

AU - Zeng, Xiao Cheng

PY - 2018/5/16

Y1 - 2018/5/16

N2 - 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.

AB - 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.

KW - aurophilicity

KW - first-principles calculations

KW - global structure search

KW - gold chemistry

KW - two-dimensional materials

UR - http://www.scopus.com/inward/record.url?scp=85046451370&partnerID=8YFLogxK

UR - http://www.scopus.com/inward/citedby.url?scp=85046451370&partnerID=8YFLogxK

U2 - 10.1021/acsami.8b02820

DO - 10.1021/acsami.8b02820

M3 - Article

C2 - 29687988

AN - SCOPUS:85046451370

VL - 10

SP - 16739

EP - 16746

JO - ACS applied materials & interfaces

JF - ACS applied materials & interfaces

SN - 1944-8244

IS - 19

ER -