2D boron dichalcogenides from the substitution of Mo with ionic B-2 pair in MoX2 (X = S, Se and Te): high stability, large excitonic effect and high charge carrier mobility

No Thumbnail Available
File version
Author(s)
Tang, Cheng
Ma, Fengxian
Zhang, Chunmei
Jiao, Yalong
Matta, Sri Kasi
Ostrikov, Ken
Du, Aijun
Griffith University Author(s)
Primary Supervisor
Other Supervisors
Editor(s)
Date
2019
Size
File type(s)
Location
License
Abstract

Two-dimensional (2D) transition metal dichalcogenides are regarded as promising candidates for nanoelectronic devices, due to their novel electronic properties. Motivated by the similarity of valence electrons between Mo and B2 pairs, we design a new type of 2D MoS2-like material, i.e. boron dichalcogenides, through the global minimization search and density functional theory methods. Free standing trigonal and hexagonal phase boron dichalcogenide (B2X2, X = S, Se and Te) monolayers are predicted to be highly stable. The T-B2X2 and H-B2X2 monolayers are all semiconducting with indirect bandgaps ranging from 2.14 eV to 4.01 eV and large excitonic effects. Particularly, H-B2X2 exhibits high carrier mobility of up to 6.23 × 105 cm2 (V−1 s−1), which can be comparable to that of graphene. Therefore, 2D boron dichalcogenides have great potential for applications in high-performance flexible field-effect transistors and light emitters. Furthermore, the optical spectrum of these monolayers reveals that the absorption is in the ultraviolet region, suggesting future applications in ultraviolet optoelectronic devices.

Journal Title

Journal of Materials Chemistry C

Conference Title
Book Title
Edition
Volume

7

Issue

6

Thesis Type
Degree Program
School
Publisher link
Patent number
Funder(s)
Grant identifier(s)
Rights Statement
Rights Statement
Item Access Status
Note
Access the data
Related item(s)
Subject

Macromolecular and materials chemistry

Physical chemistry

Materials engineering

Science & Technology

Technology

Physical Sciences

Materials Science, Multidisciplinary

Physics, Applied

Persistent link to this record
Citation

Tang, C; Ma, F; Zhang, C; Jiao, Y; Matta, SK; Ostrikov, K; Du, A, 2D boron dichalcogenides from the substitution of Mo with ionic B-2 pair in MoX2 (X = S, Se and Te): high stability, large excitonic effect and high charge carrier mobility, Journal of Materials Chemistry C, 2019, 7 (6), pp. 1651-1658

Collections