Please use this identifier to cite or link to this item:
https://hdl.handle.net/10316/96817
DC Field | Value | Language |
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dc.contributor.author | Marinopoulos, A. G. | - |
dc.contributor.author | Vilão, R. C. | - |
dc.contributor.author | Alberto, H. V. | - |
dc.contributor.author | Ribeiro, E. F. M. | - |
dc.contributor.author | Gil, J. M. | - |
dc.contributor.author | Mengyan, P. W. | - |
dc.contributor.author | Goeks, M. R. | - |
dc.contributor.author | Kauk-Kuusik, M. | - |
dc.contributor.author | Lord, J. S. | - |
dc.date.accessioned | 2021-12-24T13:46:55Z | - |
dc.date.available | 2021-12-24T13:46:55Z | - |
dc.date.issued | 2021 | - |
dc.identifier.citation | https://doi.org/10.1080/14786435.2021.1972178 | pt |
dc.identifier.issn | 1478-6435 | - |
dc.identifier.issn | 1478-6443 | - |
dc.identifier.uri | https://hdl.handle.net/10316/96817 | - |
dc.description.abstract | First-principles calculations were performed jointly with muon-spin (µSR) spectroscopy experiments in order to examine the electrical activity of hydrogen in mixed-cation chalcopyrite Cu(In1−x,Gax)Se2 (CIGS) alloys and other related compounds commonly used as absorbers in solar-cell technology. The study targeted the range of Ga concentrations most relevant in typical solar cells. By means of a hybridfunctional approach the charge-transition levels of hydrogen were determined and the evolution of the defect pinning level, E(+/–), was monitored as a function of the Ga content. The use of E(+/–) as a metric of the charge-neutrality level allowed the alignment of band structures, thus providing the band offsets between the CuInSe2 compound and the CIGS alloys. The µSR measurements in both thin-film and bulk CIGS materials confirmed that the positively-charged state is the thermodynamically stable configuration of hydrogen for p-type conditions. The interpretation of the µSR data further addressed the existence of a metastable quasi-atomic neutral configuration that was resolved from the calculations and led to a formation model for muon implantation. | pt |
dc.language.iso | eng | pt |
dc.publisher | Taylor & Francis | pt |
dc.relation | UID/FIS/04564/2016 | pt |
dc.relation | PTDC/FIS-MAC/29696/2017 | pt |
dc.rights | openAccess | pt |
dc.rights.uri | http://creativecommons.org/licenses/by/4.0/ | pt |
dc.subject | Chalcopyrite solar cells | pt |
dc.subject | ab initio calculations | pt |
dc.subject | Hydrogen | pt |
dc.subject | Muon spectroscopy | pt |
dc.title | Hydrogen states in mixed-cation CuIn(1−x)GaxSe2 chalcopyrite alloys: a combined study by first-principles density-functional calculations and muon-spin spectroscopy | pt |
dc.type | article | pt |
degois.publication.firstPage | 2412 | pt |
degois.publication.lastPage | 2434 | pt |
degois.publication.issue | 22 | pt |
degois.publication.title | Philosophical Magazine | pt |
dc.peerreviewed | yes | pt |
dc.identifier.doi | 10.1080/14786435.2021.1972178 | - |
degois.publication.volume | 101 | pt |
dc.date.embargo | 2021-01-01 | * |
uc.date.periodoEmbargo | 0 | pt |
item.fulltext | Com Texto completo | - |
item.openairecristype | http://purl.org/coar/resource_type/c_18cf | - |
item.grantfulltext | open | - |
item.languageiso639-1 | en | - |
item.openairetype | article | - |
item.cerifentitytype | Publications | - |
crisitem.author.researchunit | CFisUC – Center for Physics of the University of Coimbra | - |
crisitem.author.orcid | 0000-0002-1951-4832 | - |
crisitem.author.orcid | 0000-0003-2750-8923 | - |
Appears in Collections: | I&D CFis - Artigos em Revistas Internacionais |
Files in This Item:
File | Description | Size | Format | |
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philmag-cigs-H-29-Jul.pdf | 1.84 MB | Adobe PDF | View/Open |
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