Please use this identifier to cite or link to this item:
http://hdl.handle.net/1942/25059
Title: | A novel explanation for the increased conductivity in annealed Al-doped ZnO: an insight into migration of aluminum and displacement of zinc | Authors: | MOMOT, Aleksandr Amini, Mozhgan REEKMANS, Gunter Lamoen, Dirk Partoens, Bart Slocombe, Daniel ELEN, Ken ADRIAENSENS, Peter HARDY, An VAN BAEL, Marlies |
Issue Date: | 2017 | Source: | PHYSICAL CHEMISTRY CHEMICAL PHYSICS, 2017(19), p. 27866-27877 | 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. | 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 | Document URI: | http://hdl.handle.net/1942/25059 | ISSN: | 1463-9076 | e-ISSN: | 1463-9084 | DOI: | 10.1039/c7cp02936e | ISI #: | 000413290500073 | Rights: | © the Owner Societies 2017 | Category: | A1 | Type: | Journal Contribution | Validations: | ecoom 2018 |
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 |
SCOPUSTM
Citations
15
checked on Sep 3, 2020
WEB OF SCIENCETM
Citations
38
checked on Oct 14, 2024
Page view(s)
110
checked on Sep 6, 2022
Download(s)
148
checked on Sep 6, 2022
Google ScholarTM
Check
Altmetric
Items in DSpace are protected by copyright, with all rights reserved, unless otherwise indicated.