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Versatile van der Waals heterostructures of γ-GeSe with h-BN/graphene/MoS2
Huan, Changmeng1,2; Wang, Pu1,2; Liu, Bingtao1,2; He, Binghan1,2; Cai, Yongqing3; Ke, Qingqing1,2
2022-07-11
Source PublicationJournal of Materials Chemistry C
ISSN2050-7526
Volume10Issue:30Pages:10995-11004
Abstract

The recent discovery of a novel hexagonal phase of GeSe (γ-GeSe) has triggered great interest in nanoelectronics applications owing to the electrical conductivity of its bulk phase being even higher than that of graphite while its monolayer is a semiconductor. For potential applications, the construction of functional two-dimensional (2D) contacts is indispensable. Herein, via first-principles calculations, we propose the design of van der Waals heterostructures (vdWHs) of γ-GeSe contacting graphene, 2D h-BN and MoS as representatives of metallic, insulator, and semiconductor partners, respectively. Our work shows that the h-BN or graphene layer donates electrons to the γ-GeSe layer, resulting in n-doping in γ-GeSe, while the MoS layer accepts electrons from the γ-GeSe layer, leading to p-doping of the latter. The γ-GeSe/BN heterostructure has a type-I band alignment with large band offsets, indicating that BN can be used as an effective passivating layer to protect γ-GeSe from environmental disturbance while maintaining its major electronic and optical characteristics. The γ-GeSe/graphene heterostructure is prone to having a very low Schottky barrier of tens of meV, easily overcome by thermal excitation, making it tunable by strain and external electric fields. The γ-GeSe/MoS vdWH forms a Z-scheme interface, which is beneficial for carrier splitting and photon utilization. Our work indicates that γ-GeSe can be well passivated by BN, and form an intimate contact with graphene for high charge injection efficiency and with MoS for efficient carrier splitting for redox reactions.

DOI10.1039/d2tc02105f
URLView the original
Indexed BySCIE
Language英語English
WOS Research AreaMaterials Science ; Physics
WOS SubjectMaterials Science, Multidisciplinary ; Physics, Applied
WOS IDWOS:000828201300001
PublisherROYAL SOC CHEMISTRY, THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND
Scopus ID2-s2.0-85135126644
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Document TypeJournal article
CollectionINSTITUTE OF APPLIED PHYSICS AND MATERIALS ENGINEERING
Corresponding AuthorCai, Yongqing; Ke, Qingqing
Affiliation1.School of Microelectronics Science and Technology, Sun Yat-sen University, Zhuhai, 519082, China
2.Guangdong Provincial Key Laboratory of Optoelectronic Information Processing Chips and Systems, Sun Yat-sen University, Zhuhai, 519082, China
3.Joint Key Laboratory of the Ministry of Education, Institute of Applied Physics and Materials Engineering, University of Macau, Taipa, Macao
Corresponding Author AffilicationINSTITUTE OF APPLIED PHYSICS AND MATERIALS ENGINEERING
Recommended Citation
GB/T 7714
Huan, Changmeng,Wang, Pu,Liu, Bingtao,et al. Versatile van der Waals heterostructures of γ-GeSe with h-BN/graphene/MoS2[J]. Journal of Materials Chemistry C, 2022, 10(30), 10995-11004.
APA Huan, Changmeng., Wang, Pu., Liu, Bingtao., He, Binghan., Cai, Yongqing., & Ke, Qingqing (2022). Versatile van der Waals heterostructures of γ-GeSe with h-BN/graphene/MoS2. Journal of Materials Chemistry C, 10(30), 10995-11004.
MLA Huan, Changmeng,et al."Versatile van der Waals heterostructures of γ-GeSe with h-BN/graphene/MoS2".Journal of Materials Chemistry C 10.30(2022):10995-11004.
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