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Article: Large enhancement of electrical transport properties of SnS in the out-of-plane direction by n-type doping: a combined ARPES and DFT study

TitleLarge enhancement of electrical transport properties of SnS in the out-of-plane direction by n-type doping: a combined ARPES and DFT study
Authors
KeywordsAntimony
Density functional theory
Electronic structure
IV-VI semiconductors
Layered semiconductors
Issue Date2018
PublisherRSC Publications. The Journal's web site is located at http://pubs.rsc.org/en/journals/journalissues/ta#!recentarticles&all
Citation
Journal of Materials Chemistry A, 2018, v. 6 n. 47, p. 24588-24594 How to Cite?
AbstractTin sulfide (SnS) is a promising thermoelectric material with advantages of non-toxicity, abundant resources and low cost of its components. However, its figure of merit (ZT) is lower than that of its analogue SnSe, which was recently revealed to have an unprecedentedly high ZT value. Here, we demonstrate the differences of electronic structures between SnS and SnSe by combining angle-resolved photoemission spectroscopy (ARPES) and density functional theory (DFT). Additionally, by n-type doping with Sb or Bi, our findings reveal novel resonant states near the bottom of the SnS conduction band and a considerable increase of the electron delocalization along the out-of-plane direction. Effectively, Boltzmann transport calculations show that controlled doping with Sb or Bi results in an effective increase of the Seebeck coefficient as well as a remarkably improved normalized electrical conductivity. Thus, together with the lower thermal conductivity along the out-of-plane direction due to the interface scattering from the SnS layered structure, an improved thermoelectric performance may be realized along the out-of-plane direction. These results pave the way towards new opportunities for developing high-performance thermoelectric materials based on electronic structure tuning by atomically controlled n-type doping.
Persistent Identifierhttp://hdl.handle.net/10722/272231
ISSN
2017 Impact Factor: 9.931
2015 SCImago Journal Rankings: 2.770

 

DC FieldValueLanguage
dc.contributor.authorCUI, J-
dc.contributor.authorChen, C-
dc.contributor.authorHe, W-
dc.contributor.authorAvila, J-
dc.contributor.authorZhao, LD-
dc.contributor.authorAsensio, MC-
dc.contributor.authorHe, J-
dc.contributor.authorChen, Y-
dc.date.accessioned2019-07-20T10:38:15Z-
dc.date.available2019-07-20T10:38:15Z-
dc.date.issued2018-
dc.identifier.citationJournal of Materials Chemistry A, 2018, v. 6 n. 47, p. 24588-24594-
dc.identifier.issn2050-7488-
dc.identifier.urihttp://hdl.handle.net/10722/272231-
dc.description.abstractTin sulfide (SnS) is a promising thermoelectric material with advantages of non-toxicity, abundant resources and low cost of its components. However, its figure of merit (ZT) is lower than that of its analogue SnSe, which was recently revealed to have an unprecedentedly high ZT value. Here, we demonstrate the differences of electronic structures between SnS and SnSe by combining angle-resolved photoemission spectroscopy (ARPES) and density functional theory (DFT). Additionally, by n-type doping with Sb or Bi, our findings reveal novel resonant states near the bottom of the SnS conduction band and a considerable increase of the electron delocalization along the out-of-plane direction. Effectively, Boltzmann transport calculations show that controlled doping with Sb or Bi results in an effective increase of the Seebeck coefficient as well as a remarkably improved normalized electrical conductivity. Thus, together with the lower thermal conductivity along the out-of-plane direction due to the interface scattering from the SnS layered structure, an improved thermoelectric performance may be realized along the out-of-plane direction. These results pave the way towards new opportunities for developing high-performance thermoelectric materials based on electronic structure tuning by atomically controlled n-type doping.-
dc.languageeng-
dc.publisherRSC Publications. The Journal's web site is located at http://pubs.rsc.org/en/journals/journalissues/ta#!recentarticles&all-
dc.relation.ispartofJournal of Materials Chemistry A-
dc.subjectAntimony-
dc.subjectDensity functional theory-
dc.subjectElectronic structure-
dc.subjectIV-VI semiconductors-
dc.subjectLayered semiconductors-
dc.titleLarge enhancement of electrical transport properties of SnS in the out-of-plane direction by n-type doping: a combined ARPES and DFT study-
dc.typeArticle-
dc.identifier.emailChen, Y: yuechen@hku.hk-
dc.identifier.authorityChen, Y=rp01925-
dc.description.naturelink_to_subscribed_fulltext-
dc.identifier.doi10.1039/C8TA07090C-
dc.identifier.scopuseid_2-s2.0-85058188801-
dc.identifier.hkuros298940-
dc.identifier.volume6-
dc.identifier.issue47-
dc.identifier.spage24588-
dc.identifier.epage24594-
dc.publisher.placeUnited Kingdom-

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