Show simple item record

dc.contributor.authorRoknuzzaman, Md
dc.contributor.authorZhang, Chunmei
dc.contributor.authorOstrikov, Kostya Ken
dc.contributor.authorDu, Aijun
dc.contributor.authorWang, Hongxia
dc.contributor.authorWang, Lianzhou
dc.contributor.authorTesfamichael, Tuquabo
dc.date.accessioned2019-09-17T00:57:38Z
dc.date.available2019-09-17T00:57:38Z
dc.date.issued2019
dc.identifier.issn2045-2322
dc.identifier.doi10.1038/s41598-018-37132-2
dc.identifier.urihttp://hdl.handle.net/10072/387385
dc.description.abstractDeveloping of lead-free double perovskites have drawn significant interest for photovoltaics and optoelectronics as the materials have the potential to avoid toxicity and instability issues associated with lead-based organometallic perovskites. In this study, we report the optoelectronic properties of a new group of non-toxic lead-free organic-inorganic halide double perovskites composed of caesium (Cs), methylammonium (MA) or formamidinium (FA) with bismuth (Bi) and metal copper (Cu). We perform density functional theory investigations to calculate the structural, electronic and optical properties of 18 Pb-free compounds, ABiCuX6 [A = Cs2, (MA)2, (FA)2, CsMA, CsFA, MAFA; X = I, Br, Cl] to predict their suitability in photovoltaic and optoelectronic applications. We found that the considered compounds are semiconductors with a tunable band gap characteristics that are suitable for some devices like light emitting diodes. In addition to this, the high dielectric constant, high absorption, high optical conductivity and low reflectivity suggest that the materials have the potential in a wide range of optoelectronic applications including solar cells. Furthermore, we predict that the organic-inorganic hybrid double perovskite (FA)2BiCuI6 is the best candidate in photovoltaic and optoelectronic applications as the material has superior optical and electronic properties.
dc.description.peerreviewedYes
dc.languageEnglish
dc.language.isoeng
dc.publisherNature Publishing Group
dc.relation.ispartofissue1
dc.relation.ispartofjournalScientific Reports
dc.relation.ispartofvolume9
dc.subject.fieldofresearchPhotovoltaic devices (solar cells)
dc.subject.fieldofresearchPhotonics, optoelectronics and optical communications
dc.subject.fieldofresearchNanotechnology
dc.subject.fieldofresearchcode400910
dc.subject.fieldofresearchcode510204
dc.subject.fieldofresearchcode4018
dc.subject.keywordsScience & Technology
dc.subject.keywordsMultidisciplinary Sciences
dc.subject.keywordsScience & Technology - Other Topics
dc.subject.keywordsHALIDE DOUBLE PEROVSKITES
dc.titleElectronic and optical properties of lead-free hybrid double perovskites for photovoltaic and optoelectronic applications
dc.typeJournal article
dc.type.descriptionC1 - Articles
dcterms.bibliographicCitationRoknuzzaman, M; Zhang, C; Ostrikov, KK; Du, A; Wang, H; Wang, L; Tesfamichael, T, Electronic and optical properties of lead-free hybrid double perovskites for photovoltaic and optoelectronic applications, Scientific Reports, 2019, 9 (1)
dcterms.dateAccepted2018-11-20
dcterms.licensehttp://creativecommons.org/licenses/by/4.0/
dc.date.updated2019-09-17T00:55:12Z
dc.description.versionVersion of Record (VoR)
gro.rights.copyright© The Author(s) 2019. This article is licensed under a Creative Commons Attribution 4.0 International License, which permits use, sharing, adaptation, distribution and reproduction in any medium or format, as long as you give appropriate credit to the original author(s) and the source, provide a link to the Creative Commons license, and indicate if changes were made.
gro.hasfulltextFull Text
gro.griffith.authorOstrikov, Ken


Files in this item

This item appears in the following Collection(s)

  • Journal articles
    Contains articles published by Griffith authors in scholarly journals.

Show simple item record