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http://hdl.handle.net/1942/25059
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DC Field | Value | Language |
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dc.contributor.author | MOMOT, Aleksandr | - |
dc.contributor.author | Amini, Mozhgan | - |
dc.contributor.author | REEKMANS, Gunter | - |
dc.contributor.author | Lamoen, Dirk | - |
dc.contributor.author | Partoens, Bart | - |
dc.contributor.author | Slocombe, Daniel | - |
dc.contributor.author | ELEN, Ken | - |
dc.contributor.author | ADRIAENSENS, Peter | - |
dc.contributor.author | HARDY, An | - |
dc.contributor.author | VAN BAEL, Marlies | - |
dc.date.accessioned | 2017-10-19T07:26:07Z | - |
dc.date.available | 2017-10-19T07:26:07Z | - |
dc.date.issued | 2017 | - |
dc.identifier.citation | PHYSICAL CHEMISTRY CHEMICAL PHYSICS, 2017(19), p. 27866-27877 | - |
dc.identifier.issn | 1463-9076 | - |
dc.identifier.uri | http://hdl.handle.net/1942/25059 | - |
dc.description.abstract | A combined experimental and first-principles study is performed to study the origin of conductivity in ZnO:Al nanoparticles synthesized under controlled conditions via a reflux route using benzylamine as a solvent. The experimental characterization of the samples by Raman, nuclear magnetic resonance (NMR) and conductivity measurements indicates that upon annealing in nitrogen, the Al atoms at interstitial positions migrate to the substitutional positions, creating at the same time Zn interstitials. We provide evidence for the fact that the formed complex of AlZn and Zni corresponds to the origin of the Knight shifted peak (KS) we observe in 27Al NMR. As far as we know, the role of this complex has not been discussed in the literature to date. However, our first-principles calculations show that such a complex is indeed energetically favoured over the isolated Al interstitial positions. In our calculations we also address the charge state of the Al interstitials. Further, Zn interstitials can migrate from AlZn and possibly also form Zn clusters, leading to the observed increased conductivity. | - |
dc.description.sponsorship | We want to thank the Interuniversity Attraction Poles Programme (P7/05) initiated by the Belgian Science Policy Office (BELSPO) for the financial support. We also acknowledge the Research Foundation Flanders (FWO-Vlaanderen) for support via the MULTIMAR WOG project and under project No. G018914. The computational parts were carried out using the HPC infrastructure at the University of Antwerp (CalcUA), a division of the Flemish Super-computer Center VSC, supported financially by the Hercules foundation and the Flemish Government (EWI Department). | - |
dc.language.iso | en | - |
dc.rights | © the Owner Societies 2017 | - |
dc.title | A novel explanation for the increased conductivity in annealed Al-doped ZnO: an insight into migration of aluminum and displacement of zinc | - |
dc.type | Journal Contribution | - |
dc.identifier.epage | 27877 | - |
dc.identifier.issue | 19 | - |
dc.identifier.spage | 27866 | - |
dc.identifier.volume | 2017 | - |
local.bibliographicCitation.jcat | A1 | - |
dc.description.notes | Hardy, A (reprint author), UHasselt Hasselt Univ, Inst Mat Res IMO IMOMEC, Inorgan & Phys Chem, Agoralaan, B-3590 Diepenbeek, Belgium. an.hardy@uhasselt.be | - |
local.type.refereed | Refereed | - |
local.type.specified | Article | - |
local.type.programme | VSC | - |
dc.identifier.doi | 10.1039/c7cp02936e | - |
dc.identifier.isi | 000413290500073 | - |
item.contributor | MOMOT, Aleksandr | - |
item.contributor | Amini, Mozhgan | - |
item.contributor | REEKMANS, Gunter | - |
item.contributor | Lamoen, Dirk | - |
item.contributor | Partoens, Bart | - |
item.contributor | Slocombe, Daniel | - |
item.contributor | ELEN, Ken | - |
item.contributor | ADRIAENSENS, Peter | - |
item.contributor | HARDY, An | - |
item.contributor | VAN BAEL, Marlies | - |
item.fulltext | With Fulltext | - |
item.validation | ecoom 2018 | - |
item.fullcitation | MOMOT, Aleksandr; Amini, Mozhgan; REEKMANS, Gunter; Lamoen, Dirk; Partoens, Bart; Slocombe, Daniel; ELEN, Ken; ADRIAENSENS, Peter; HARDY, An & VAN BAEL, Marlies (2017) A novel explanation for the increased conductivity in annealed Al-doped ZnO: an insight into migration of aluminum and displacement of zinc. In: PHYSICAL CHEMISTRY CHEMICAL PHYSICS, 2017(19), p. 27866-27877. | - |
item.accessRights | Open Access | - |
crisitem.journal.issn | 1463-9076 | - |
crisitem.journal.eissn | 1463-9084 | - |
Appears in Collections: | Research publications |
Files in This Item:
File | Description | Size | Format | |
---|---|---|---|---|
PREPRINT_A novel explanation of increased conductivity in annealed Al-doped ZnO an insight into migration of aluminum and displacement of zinc.pdf | Peer-reviewed author version | 1.8 MB | Adobe PDF | View/Open |
c7cp02936e1.pdf | Supplementary material | 260.96 kB | Adobe PDF | View/Open |
C7CP02936E.pdf Restricted Access | Published version | 2.88 MB | Adobe PDF | View/Open Request a copy |
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