| People | Locations | Statistics |
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| Naji, M. |
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| Motta, Antonella |
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| Aletan, Dirar |
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| Mohamed, Tarek |
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| Ertürk, Emre |
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| Taccardi, Nicola |
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| Kononenko, Denys |
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| Petrov, R. H. | Madrid |
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| Alshaaer, Mazen | Brussels |
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| Bih, L. |
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| Casati, R. |
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| Muller, Hermance |
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| Kočí, Jan | Prague |
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| Šuljagić, Marija |
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| Kalteremidou, Kalliopi-Artemi | Brussels |
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| Azam, Siraj |
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| Ospanova, Alyiya |
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| Blanpain, Bart |
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| Ali, M. A. |
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| Popa, V. |
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| Rančić, M. |
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| Ollier, Nadège |
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| Azevedo, Nuno Monteiro |
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| Landes, Michael |
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| Rignanese, Gian-Marco |
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Gibbs, Alexandra S.
ISIS Neutron and Muon Source
in Cooperation with on an Cooperation-Score of 37%
Topics
Publications (10/10 displayed)
- 2022The crystal and defect structures of polar KBiNb 2 O 7
- 2022Low-intermediate-temperature, high-pressure thermoelastic and crystallographic properties of thermoelectric clausthalite (PbSe-I)citations
- 2022Competing spin-orbital singlet states in the 4d4 honeycomb ruthenate Ag3LiRu2O6citations
- 2022The crystal and defect structures of polar KBiNb2O7
- 2021Disorder-induced structural complexity in the barlowite family of S = 1/2 kagomé magnetscitations
- 2021Disentangling the phase sequence and correlated critical properties in Bi0.7La0.3FeO3 by structural studiescitations
- 2019Pressure-induced collapse of the spin-orbital Mott state in the hyperhoneycomb iridate β-Li2IrO3citations
- 2017Cation disorder and phase transitions in the structurally complex solar cell material Cu2ZnSnS4citations
- 2017Robust Bain distortion in the premartensite phase of a platinum-substituted Ni2MnGa magnetic shape memory alloycitations
- 2011High-temperature phase transitions of hexagonal YMnO3citations
Places of action
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article
Cation disorder and phase transitions in the structurally complex solar cell material Cu2ZnSnS4
Abstract
<p>Cu<sub>2</sub>ZnSnS<sub>4</sub> (CZTS) is a technologically important and complex quaternary semiconductor and a highly promising material for the absorber layer in sustainable thin film solar cells. Its photovoltaic performance is currently limited by low open-circuit voltage, thought to be due to a range of point defects such as disorder between the copper and zinc lattice sites. This is the highest-resolution neutron diffraction study reported for CZTS, which unambiguously identifies the crystal symmetry and accurately quantifies precise values for the disorder on all cation symmetry sites as a function of temperature. Two samples of CZTS were fabricated by solid state reaction and their compositions were measured by inductively-coupled plasma mass spectroscopy, which identified significant tin loss during growth, leaving the samples Sn-poor, Cu-rich and Sn-poor, Zn-rich respectively. Both samples were found exclusively to adopt the tetragonal kesterite crystal structure with significant cation disorder, which is investigated in detail over the range 4-1275 K. Importantly, and in contrast to previous reports, the 2a Wyckoff site shows disorder equal to or greater than the 2c site. The order-disorder phase transition was observed at different temperatures for the two compositions, 489 and 501 K respectively, lower than previously reported. The kesterite-sphalerite transition was observed between 1250 and 1275 K for the Sn-poor, Cu-rich sample, significantly higher than previously reported. These results provide new insights into the high levels of disorder present in CZTS and confirm that composition and cation disorder have a significant effect on the phase transition mechanism. This work will enable the development of routes to the fabrication of higher-efficiency photovoltaic devices.</p>