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(2) Li, S.; He, J.; Nachtigall, P.; Grajciar, L.; Brivio, F. Control of Spintronic and Electronic Properties of Bimetallic and Vacancy-Ordered Vanadium Carbide MXenes via Surface Functionalization. Physical Chemistry Chemical Physics 2019.

(3) Wei, F.; Brivio, F.; Wu, Y.; Sun, S.; Bristowe, P. D.; Cheetham, A. K. Synthesis, Crystal Structure, Magnetic and Electronic Properties of the Caesium-Based Transition Metal Halide Cs 3 Fe 2 Br 9. Journal of Materials Chemistry C 2018, 6 (14), 3573–3577.

(4) Sun, S.; Deng, Z.; Brivio, F.; Wei, F.; Bristowe, P. D.; Cheetham, A.; Buonassisi, T. Influence of Organic Cations on the Structural Anisotropy in Cubic Lead Halide Perovskites. In 2018 IEEE 7th World Conference on Photovoltaic Energy Conversion (WCPEC)(A Joint Conference of 45th IEEE PVSC, 28th PVSEC & 34th EU PVSEC); IEEE, 2018; pp 2549–2552.

(5) Mazur, M.; Kasneryk, V.; Přech, J.; Brivio, F.; Ochoa-Hernández, C.; Mayoral, A.; Kub\uu, M.; Čejka, J. Zeolite Framework Functionalisation by Tuneable Incorporation of Various Metals into the IPC-2 Zeolite. Inorganic Chemistry Frontiers 2018, 5 (11), 2746–2755.

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(8) Sun, S.; Deng, Z.; Wu, Y.; Wei, F.; Isikgor, F. H.; Brivio, F.; Gaultois, M. W.; Ouyang, J.; Bristowe, P. D.; Cheetham, A. K.; et al. Variable Temperature and High-Pressure Crystal Chemistry of Perovskite Formamidinium Lead Iodide: A Single Crystal X-Ray Diffraction and Computational Study. Chemical Communications 2017, 53 (54), 7537–7540.

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(10) Deng, Z.; Wei, F.; Brivio, F.; Wu, Y.; Sun, S.; Bristowe, P. D.; Cheetham, A. K. Synthesis and Characterization of the Rare-Earth Hybrid Double Perovskites:(CH3NH3) 2KGdCl6 and (CH3NH3) 2KYCl6. The journal of physical chemistry letters 2017, 8 (20), 5015–5020.

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(12) Leguy, A. M.; Goñi, A. R.; Frost, J. M.; Skelton, J.; Brivio, F.; Rodríguez-Martínez, X.; Weber, O. J.; Pallipurath, A.; Alonso, M. I.; Campoy-Quiles, M.; et al. Dynamic Disorder, Phonon Lifetimes, and the Assignment of Modes to the Vibrational Spectra of Methylammonium Lead Halide Perovskites. Physical Chemistry Chemical Physics 2016, 18 (39), 27051–27066.

(13) Brivio, F.; Caetano, C.; Walsh, A. Thermodynamic Origin of Photoinstability in the CH3NH3Pb (I1–x Br x) 3 Hybrid Halide Perovskite Alloy. The journal of physical chemistry letters 2016, 7 (6), 1083–1087.

(14) Brivio, F. Atomistic Modelling of Perovskite Solar Cells. PhD Thesis, University of Bath, 2016.

(15) Brivio, F.; Frost, J. M.; Skelton, J. M.; Jackson, A. J.; Weber, O. J.; Weller, M. T.; Goni, A. R.; Leguy, A. M.; Barnes, P. R.; Walsh, A. Lattice Dynamics and Vibrational Spectra of the Orthorhombic, Tetragonal, and Cubic Phases of Methylammonium Lead Iodide. Physical Review B 2015, 92 (14), 144308.

(16) Frost, J. M.; Butler, K. T.; Brivio, F.; Hendon, C. H.; Van Schilfgaarde, M.; Walsh, A. Atomistic Origins of High-Performance in Hybrid Halide Perovskite Solar Cells. Nano letters 2014, 14 (5), 2584–2590.

(17) Brivio, F.; Butler, K. T.; Walsh, A.; Van Schilfgaarde, M. Relativistic Quasiparticle Self-Consistent Electronic Structure of Hybrid Halide Perovskite Photovoltaic Absorbers. Physical Review B 2014, 89 (15), 155204.

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