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dc.contributor.authorTang, Cheng
dc.contributor.authorMa, Fengxian
dc.contributor.authorZhang, Chunmei
dc.contributor.authorJiao, Yalong
dc.contributor.authorMatta, Sri Kasi
dc.contributor.authorOstrikov, Ken
dc.contributor.authorDu, Aijun
dc.description.abstractTwo-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.
dc.publisherRoyal Society of Chemistry
dc.relation.ispartofjournalJournal of Materials Chemistry C
dc.subject.fieldofresearchMacromolecular and Materials Chemistry
dc.subject.fieldofresearchPhysical Chemistry (incl. Structural)
dc.subject.fieldofresearchMaterials Engineering
dc.subject.keywordsScience & Technology
dc.subject.keywordsPhysical Sciences
dc.subject.keywordsMaterials Science, Multidisciplinary
dc.subject.keywordsPhysics, Applied
dc.title2D 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
dc.typeJournal article
dc.type.descriptionC1 - Articles
dcterms.bibliographicCitationTang, 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
gro.hasfulltextNo Full Text
gro.griffith.authorOstrikov, Kostya (Ken)

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