| 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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Payne, Julia Louise
University of St Andrews
in Cooperation with on an Cooperation-Score of 37%
Topics
Publications (11/11 displayed)
- 2023Manipulation of structure and optoelectronic properties through bromine inclusion in a layered lead bromide perovskitecitations
- 2022Synthesis, structure and tunability of zero dimensional organic-inorganic metal halides utilising the m-xylylenediammonium cation: MXD2PbI6, MXDBiI5, and MXD3Bi2Br12·2H2Ocitations
- 2021Time-resolved in-situ X-ray diffraction study of CaO and CaO:Ca3Al2O6 composite catalysts for biodiesel productioncitations
- 2021Use of interplay between A-site non-stoichiometry and hydroxide doping to deliver novel proton-conducting perovskite oxidescitations
- 2020Bandgap bowing in a zero-dimensional hybrid halide perovskite derivativecitations
- 2018Transition metal chlorides NiCl2, KNiCl3, Li6VCl8 and Li2MnCl4 as alternative cathode materials in primary Li thermal batteriescitations
- 2017Charge carrier localised in zero-dimensional (CH 3 NH 3 ) 3 Bi 2 1 9 clusterscitations
- 2017Charge carrier localised in zero-dimensional (CH3NH3)3Bi219 clusterscitations
- 2017Charge carrier localised in zero-dimensional (CH3NH3)3Bi219 clusterscitations
- 2017Synthesis and electrochemical study of CoNi2S4 as a novel cathode material in a primary Li thermal batterycitations
- 2016Zirconium trisulfide as a promising cathode material for Li primary thermal batteriescitations
Places of action
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article
Manipulation of structure and optoelectronic properties through bromine inclusion in a layered lead bromide perovskite
Abstract
One of the great advantages of organic–inorganic metal halides is that their structures and properties are highly tuneable and this is important when optimizing materials for photovoltaics or other optoelectronic devices. One of the most common and effective ways of tuning the electronic structure is through anion substitution. Here, we report the inclusion of bromine into the layered perovskite [H<sub>3</sub>N(CH<sub>2</sub>)<sub>6</sub>NH<sub>3</sub>]PbBr<sub>4</sub> to form [H<sub>3</sub>N(CH<sub>2</sub>)<sub>6</sub>NH<sub>3</sub>]PbBr<sub>4</sub>·Br<sub>2</sub>, which contains molecular bromine (Br<sub>2</sub>) intercalated between the layers of corner-sharing PbBr<sub>6</sub> octahedra. Bromine intercalation in [H<sub>3</sub>N(CH<sub>2</sub>)<sub>6</sub>NH<sub>3</sub>]PbBr<sub>4</sub>·Br<sub>2</sub> results in a decrease in the band gap of 0.85 eV and induces a structural transition from a Ruddlesden–Popper-like to Dion–Jacobson-like phase, while also changing the conformation of the amine. Electronic structure calculations show that Br<sub>2</sub> intercalation is accompanied by the formation of a new band in the electronic structure and a significant decrease in the effective masses of around two orders of magnitude. This is backed up by our resistivity measurements that show that [H<sub>3</sub>N(CH<sub>2</sub>)<sub>6</sub>NH<sub>3</sub>]PbBr<sub>4</sub>·Br<sub>2</sub> has a resistivity value of one order of magnitude lower than [H<sub>3</sub>N(CH<sub>2</sub>)<sub>6</sub>NH<sub>3</sub>]PbBr<sub>4</sub>, suggesting that bromine inclusion significantly increases the mobility and/or carrier concentration in the material. This work highlights the possibility of using molecular inclusion as an alternative tool to tune the electronic properties of layered organic–inorganic perovskites, while also being the first example of molecular bromine inclusion in a layered lead halide perovskite. By using a combination of crystallography and computation, we show that the key to this manipulation of the electronic structure is the formation of halogen bonds between the Br<sub>2</sub> and Br in the [PbBr<sub>4</sub>]<sub>∞</sub> layers, which is likely to have important effects in a range of organic–inorganic metal halides.