Fukumoto, M;
Hirose, Y;
Williamson, BAD;
Nakao, S;
Kimura, K;
Hayashi, K;
Sugisawa, Y;
... Hasegawa, T; + view all
(2022)
Ligand Field-Induced Exotic Dopant for Infrared Transparent Electrode: W in Rutile SnO₂.
Advanced Functional Materials
, 32
(14)
, Article 2110832. 10.1002/adfm.202110832.
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Abstract
Transparent conductive oxides (TCOs) exhibiting high near-infrared (NIR) transmittance are one of the key materials for highly efficient thin-film solar cells with widened spectral sensitivity. To realize excellent NIR transparency in a TCO film, developing a dopant providing high mobility (µ) carriers is quite important. Herein, it is demonstrated that W is a high-μ dopant in rutile SnO2, which is unexpected from the conventional strategy. A combination of electrical transport property measurements and hybrid density functional theory calculations reveals that W behaves as a singly charged donor (W5+) showing minimized ionized impurity scattering. This charge state is realized by the splitting of the W 5d t2g-states originating not only from the octahedral crystal field but also hybridization with the O 2p orbitals, whose contribution has not been considered in transition metal-doped TCOs. Hybridization between metal d orbital and O 2p orbitals would provide a new guide for designing a novel dopant of NIR transparent conductors.
Type: | Article |
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Title: | Ligand Field-Induced Exotic Dopant for Infrared Transparent Electrode: W in Rutile SnO₂ |
Open access status: | An open access version is available from UCL Discovery |
DOI: | 10.1002/adfm.202110832 |
Publisher version: | https://doi.org/10.1002/adfm.202110832 |
Language: | English |
Additional information: | This version is the author accepted manuscript. For information on re-use, please refer to the publisher’s terms and conditions. |
Keywords: | high mobility, ligand field splitting, near-infrared transparent conductors, SnO, solar cells |
UCL classification: | UCL UCL > Provost and Vice Provost Offices > UCL BEAMS UCL > Provost and Vice Provost Offices > UCL BEAMS > Faculty of Maths and Physical Sciences UCL > Provost and Vice Provost Offices > UCL BEAMS > Faculty of Maths and Physical Sciences > Dept of Chemistry |
URI: | https://discovery.ucl.ac.uk/id/eprint/10141478 |
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