Heterostructures of transition metal dichalcogenides

Handle URI:
http://hdl.handle.net/10754/576050
Title:
Heterostructures of transition metal dichalcogenides
Authors:
Amin, Bin ( 0000-0003-1284-1934 ) ; Singh, Nirpendra ( 0000-0001-8043-0403 ) ; Schwingenschlögl, Udo ( 0000-0003-4179-7231 )
Abstract:
The structural, electronic, optical, and photocatalytic properties of out-of-plane and in-plane heterostructures of transition metal dichalcogenides are investigated by (hybrid) first principles calculations. The out-of-plane heterostructures are found to be indirect band gap semiconductors with type-II band alignment. Direct band gaps can be achieved by moderate tensile strain in specific cases. The excitonic peaks show blueshifts as compared to the parent monolayer systems, whereas redshifts occur when the chalcogen atoms are exchanged along the series S-Se-Te. Strong absorption from infrared to visible light as well as excellent photocatalytic properties can be achieved.
KAUST Department:
Physical Sciences and Engineering (PSE) Division
Citation:
Heterostructures of transition metal dichalcogenides 2015, 92 (7) Physical Review B
Publisher:
American Physical Society (APS)
Journal:
Physical Review B
Issue Date:
24-Aug-2015
DOI:
10.1103/PhysRevB.92.075439
Type:
Article
ISSN:
1098-0121; 1550-235X
Additional Links:
http://link.aps.org/doi/10.1103/PhysRevB.92.075439
Appears in Collections:
Articles; Physical Sciences and Engineering (PSE) Division; Physical Sciences and Engineering (PSE) Division

Full metadata record

DC FieldValue Language
dc.contributor.authorAmin, Binen
dc.contributor.authorSingh, Nirpendraen
dc.contributor.authorSchwingenschlögl, Udoen
dc.date.accessioned2015-08-30T11:15:46Zen
dc.date.available2015-08-30T11:15:46Zen
dc.date.issued2015-08-24en
dc.identifier.citationHeterostructures of transition metal dichalcogenides 2015, 92 (7) Physical Review Ben
dc.identifier.issn1098-0121en
dc.identifier.issn1550-235Xen
dc.identifier.doi10.1103/PhysRevB.92.075439en
dc.identifier.urihttp://hdl.handle.net/10754/576050en
dc.description.abstractThe structural, electronic, optical, and photocatalytic properties of out-of-plane and in-plane heterostructures of transition metal dichalcogenides are investigated by (hybrid) first principles calculations. The out-of-plane heterostructures are found to be indirect band gap semiconductors with type-II band alignment. Direct band gaps can be achieved by moderate tensile strain in specific cases. The excitonic peaks show blueshifts as compared to the parent monolayer systems, whereas redshifts occur when the chalcogen atoms are exchanged along the series S-Se-Te. Strong absorption from infrared to visible light as well as excellent photocatalytic properties can be achieved.en
dc.language.isoenen
dc.publisherAmerican Physical Society (APS)en
dc.relation.urlhttp://link.aps.org/doi/10.1103/PhysRevB.92.075439en
dc.rightsArchived with thanks to Physical Review Ben
dc.titleHeterostructures of transition metal dichalcogenidesen
dc.typeArticleen
dc.contributor.departmentPhysical Sciences and Engineering (PSE) Divisionen
dc.identifier.journalPhysical Review Ben
dc.eprint.versionPublisher's Version/PDFen
dc.contributor.affiliationKing Abdullah University of Science and Technology (KAUST)en
kaust.authorAmin, Binen
kaust.authorSingh, Nirpendraen
kaust.authorSchwingenschlögl, Udoen
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