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Effect of sodium incorporation into CuInSe2 from first principles

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dc.contributor Aalto-yliopisto fi
dc.contributor Aalto University en
dc.contributor.author Oikkonen, L. E.
dc.contributor.author Ganchenkova, M. G.
dc.contributor.author Seitsonen, A. P.
dc.contributor.author Nieminen, Risto M.
dc.date.accessioned 2015-06-05T09:00:48Z
dc.date.available 2015-06-05T09:00:48Z
dc.date.issued 2013
dc.identifier.citation Oikkonen, L. E. & Ganchenkova, M. G. & Seitsonen, A. P. & Nieminen, Risto M. 2013. Effect of sodium incorporation into CuInSe2 from first principles. Journal of Applied Physics. Volume 114, Issue 8. 083503/1-5. ISSN 0021-8979 (printed). DOI: 10.1063/1.4819105. en
dc.identifier.issn 0021-8979 (printed)
dc.identifier.uri https://aaltodoc.aalto.fi/handle/123456789/16526
dc.description.abstract The presence of small amounts of sodium has been shown to improve the electronic performance of Cu(In,Ga)Se2 (CIGS) solar cells, but the origins of this effect have not yet been fully resolved. In this work, we have addressed the questions involving the role of sodium in CuInSe2 (CIS) using density-functional-theory-based calculations. We find no direct way how the creation of Na-related point defects in bulk CIS would enhance p-type conductivity. Instead, we demonstrate that Na reduces copper mass transport due to the capture of copper vacancies by NaCu defects. This finding provides an explanation for experimental measurements where the presence of Na has been observed to decrease copper diffusion. The suggested mechanism can also impede VCu -related cluster formation and lead to measurable effects on defect distribution within the material. en
dc.format.extent 083503/1-5
dc.format.mimetype application/pdf en
dc.language.iso en en
dc.publisher AIP Publishing en
dc.relation.ispartofseries Journal of Applied Physics en
dc.relation.ispartofseries Volume 114, Issue 8
dc.rights © 2013 American Institute of Physics. This is the accepted version of the following article: Oikkonen, L. E. & Ganchenkova, M. G. & Seitsonen, A. P. & Nieminen, Risto M. 2013. Effect of sodium incorporation into CuInSe2 from first principles. Journal of Applied Physics. Volume 114, Issue 8. 083503/1-5. ISSN 0021-8979 (printed). DOI: 10.1063/1.4819105, which has been published in final form at http://scitation.aip.org/content/aip/journal/jap/114/8/10.1063/1.4819105. en
dc.subject.other Physics en
dc.title Effect of sodium incorporation into CuInSe2 from first principles en
dc.type A1 Alkuperäisartikkeli tieteellisessä aikakauslehdessä fi
dc.description.version Peer reviewed en
dc.rights.holder American Institute of Physics
dc.contributor.school Perustieteiden korkeakoulu fi
dc.contributor.school School of Science en
dc.contributor.department Teknillisen fysiikan laitos fi
dc.contributor.department Department of Applied Physics en
dc.subject.keyword sodium en
dc.subject.keyword CuInSe2 en
dc.subject.keyword density-functional theory en
dc.identifier.urn URN:NBN:fi:aalto-201506043165
dc.type.dcmitype text en
dc.identifier.doi 10.1063/1.4819105
dc.type.version Final published version en


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