Formation, Structures and Electronic Properties of Silicene Oxides on Ag(111)

Muhammad Ali; Zhenyi Ni; Stefaan Cottenier; Yong Liu; Xiaodong Pi; Deren Yang

doi:10.1016/j.jmst.2016.08.020

Formation, Structures and Electronic Properties of Silicene Oxides on Ag(111)

Muhammad Ali, Zhenyi Ni, Stefaan Cottenier, Yong Liu, Xiaodong Pi^*, Deren Yang

^*Corresponding author for this work

Research output: Contribution to journal › Article › peer-review

19 Scopus citations

Abstract

The formation, structural and electronic properties of silicene oxides (SOs) that result from the oxidation of silicene on Ag(111) surface have been investigated in the framework of density functional theory (DFT). It is found that the honeycomb lattice of silicene on the Ag(111) surface changes after the oxidation. SOs are strongly hybridized with the Ag(111) surface so that they possess metallic band structures. Charge accumulation between SOs and the Ag(111) surface indicates strong chemical bonding, which dramatically affects the electronic properties of SOs. When SOs are peeled off the Ag(111) surface, however, they may become semiconductors.

Original language	English
Pages (from-to)	751-757
Number of pages	7
Journal	Journal of Materials Science and Technology
Volume	33
Issue number	7
DOIs	https://doi.org/10.1016/j.jmst.2016.08.020
State	Published - Jul 2017
Externally published	Yes

Bibliographical note

Publisher Copyright:
© 2016

Keywords

Ag(111)
Band gap
Density functional theory
Hybridization
Oxidation
Silicene oxides

ASJC Scopus subject areas

Ceramics and Composites
Mechanics of Materials
Mechanical Engineering
Polymers and Plastics
Metals and Alloys
Materials Chemistry

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10.1016/j.jmst.2016.08.020

Cite this

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title = "Formation, Structures and Electronic Properties of Silicene Oxides on Ag(111)",

abstract = "The formation, structural and electronic properties of silicene oxides (SOs) that result from the oxidation of silicene on Ag(111) surface have been investigated in the framework of density functional theory (DFT). It is found that the honeycomb lattice of silicene on the Ag(111) surface changes after the oxidation. SOs are strongly hybridized with the Ag(111) surface so that they possess metallic band structures. Charge accumulation between SOs and the Ag(111) surface indicates strong chemical bonding, which dramatically affects the electronic properties of SOs. When SOs are peeled off the Ag(111) surface, however, they may become semiconductors.",

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AU - Ali, Muhammad

AU - Ni, Zhenyi

AU - Cottenier, Stefaan

AU - Liu, Yong

AU - Pi, Xiaodong

AU - Yang, Deren

PY - 2017/7

Y1 - 2017/7

N2 - The formation, structural and electronic properties of silicene oxides (SOs) that result from the oxidation of silicene on Ag(111) surface have been investigated in the framework of density functional theory (DFT). It is found that the honeycomb lattice of silicene on the Ag(111) surface changes after the oxidation. SOs are strongly hybridized with the Ag(111) surface so that they possess metallic band structures. Charge accumulation between SOs and the Ag(111) surface indicates strong chemical bonding, which dramatically affects the electronic properties of SOs. When SOs are peeled off the Ag(111) surface, however, they may become semiconductors.

AB - The formation, structural and electronic properties of silicene oxides (SOs) that result from the oxidation of silicene on Ag(111) surface have been investigated in the framework of density functional theory (DFT). It is found that the honeycomb lattice of silicene on the Ag(111) surface changes after the oxidation. SOs are strongly hybridized with the Ag(111) surface so that they possess metallic band structures. Charge accumulation between SOs and the Ag(111) surface indicates strong chemical bonding, which dramatically affects the electronic properties of SOs. When SOs are peeled off the Ag(111) surface, however, they may become semiconductors.

KW - Ag(111)

KW - Band gap

KW - Density functional theory

KW - Hybridization

KW - Oxidation

KW - Silicene oxides

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DO - 10.1016/j.jmst.2016.08.020

M3 - Article

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SN - 1005-0302

VL - 33

SP - 751

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JF - Journal of Materials Science and Technology

IS - 7

ER -

Formation, Structures and Electronic Properties of Silicene Oxides on Ag(111)

Abstract

Bibliographical note

Keywords

ASJC Scopus subject areas

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