Role of lattice distortion and A site cation in the phase transitions of methylammonium lead halide perovskites

Journal article


Harwell, Jonathon R, Payne, Julia L, Sajjad, T., Heutz, Frank JL, Dawson, Daniel M, Whitfield, Pamela S, Irvine, John TS, Samuel, Ifor DW and Carpenter, Michael A (2018). Role of lattice distortion and A site cation in the phase transitions of methylammonium lead halide perovskites. Physical Review Materials. 2 (6), pp. 065404-065404.
AuthorsHarwell, Jonathon R, Payne, Julia L, Sajjad, T., Heutz, Frank JL, Dawson, Daniel M, Whitfield, Pamela S, Irvine, John TS, Samuel, Ifor DW and Carpenter, Michael A
Abstract

The rapid increase in power conversion efficiencies of photovoltaic devices incorporating lead halide perovskites has resulted in intense interest in the cause of their excellent properties. In the present paper, resonant ultrasound spectroscopy has been used to determine the elastic and anelastic properties of
CH3NH3PbX3(where X=Cl, Br, or I) and CD3ND3PbI3 perovskites in the 5–380 K temperature range. This is coupled with differential scanning calorimetry, variable temperature neutron powder diffraction, and variable temperature photoluminescence studies to provide insights into the underlying processes and structural instabilities in the crystal structure. By comparing measurements on CH3NH3PbI3
with the deuterated equivalent, it has been possible to distinguish processes which are related to the hydrogen bonding between the methylammonium cation and the perovskite framework. We observe that replacing hydrogen with deuterium has a significant impact on both the elastic and photophysical properties, which shows that hydrogen bonding plays a crucial role in the material performance. Temperature-dependent photoluminescence studies show that the light emission is unaffected by the tetragonal-orthorhombic phase transition, but a blueshift in the emission and a steep increase in photoluminescence quantum yield are seen at temperatures below 150 K. Finally, observations of peaks in acoustic loss occurring in CH3NH3PbCl3 have revealed freezing processes in the vicinity of ∼150−170K, with activation energies in the range of 300 to 650 meV. These processes are attributed to freezing of the motion of methylammonium cations, and could explain the changes in photoluminescence seen in CH3NH3PbI3 at the same temperature.

© 2018 American Physical Society. This work has been made available online in accordance with the publisher’s policies. This is the author created, accepted version manuscript following peer review and may differ slightly from the final published version. The final published version of this work is available at: https://doi.org/10.1103/PhysRevMaterials.2.065404

Year2018
JournalPhysical Review Materials
Journal citation2 (6), pp. 065404-065404
PublisherAPS
ISSN2475-9953
Digital Object Identifier (DOI)doi:https://www.doi.org/10.1103/PhysRevMaterials.2.065404
Publication dates
Print20 Jun 2018
Online20 Jun 2018
Publication process dates
Accepted02 Feb 2018
Deposited04 Feb 2020
Accepted author manuscript
License
CC BY 4.0
File Access Level
Open
Permalink -

https://openresearch.lsbu.ac.uk/item/88z24

  • 1
    total views
  • 5
    total downloads
  • 1
    views this month
  • 5
    downloads this month

Related outputs

Highly efficient fullerene and non-fullerene based ternary organic solar cells incorporating a new tetrathiocin-cored semiconductor
Jagadamma, LK, Taylor, RGD, Kanibolotsky, AL, Sajjad, T, Wright, IA, Horton, PN, Coles, SJ, Samuel, IDW and Skabara, Peter J (2019). Highly efficient fullerene and non-fullerene based ternary organic solar cells incorporating a new tetrathiocin-cored semiconductor. Sustainable Energy & Fuels. 3 (8), pp. 2087-2099.
Interface limited hole extraction from methylammonium lead iodide films
Blaszczyk, Oskar, Jagadamma, Lethy Krishnan, Ruseckas, Arvydas, Sajjad, T, Zhang, Yiwei and Samuel, Ifor DW (2019). Interface limited hole extraction from methylammonium lead iodide films. Materials Horizons.
CuSCN Nanowires as Electrodes for p-Type Quantum Dot Sensitized Solar Cells: Charge Transfer Dynamics and Alumina Passivation
Sajjad, Muhammad T, Sajjad, T, Park, Jinhyung, Gaboriau, Dorian, Harwell, Jonathon R, Odobel, Fabrice, Reiss, Peter, Samuel, Ifor DW and Aldakov, Dmitry (2018). CuSCN Nanowires as Electrodes for p-Type Quantum Dot Sensitized Solar Cells: Charge Transfer Dynamics and Alumina Passivation. The Journal of Physical Chemistry C. 122 (9), pp. 5161-5170.
Engineered exciton diffusion length enhances device efficiency in small molecule photovoltaics
Sajjad, T, Blaszczyk, Oskar, Jagadamma, Lethy Krishnan, Roland, Thomas J, Chowdhury, Mithun, Ruseckas, Arvydas and Samuel, Ifor DW (2018). Engineered exciton diffusion length enhances device efficiency in small molecule photovoltaics. Journal of Materials Chemistry A. 6 (20), pp. 9445-9450.
Improved efficiency of PbS quantum dot sensitized NiO photocathodes with naphthalene diimide electron acceptor bound to the surface of the nanocrystals
Raissi, Mahfoudh, Sajjad, T, Farré, Yoann, Roland, Thomas J, Ruseckas, Arvydas, Samuel, Ifor DW and Odobel, Fabrice (2018). Improved efficiency of PbS quantum dot sensitized NiO photocathodes with naphthalene diimide electron acceptor bound to the surface of the nanocrystals. Solar Energy Materials and Solar Cells. 181, pp. 71-76.
In situ formation and photo patterning of emissive quantum dots in small organic molecules
Bansal, Ashu K, Sajjad, T, Antolini, Francesco, Stroea, Lenuta, Gečys, Paulius, Raciukaitis, Gediminas, André, Pascal, Hirzer, Andreas, Schmidt, Volker and Ortolani, Luca (2018). In situ formation and photo patterning of emissive quantum dots in small organic molecules. Nanoscale. 7 (25), pp. 11163-11172.
pH-Induced transformation of ligated Au 25 to brighter Au 23 nanoclusters
Waszkielewicz, Magdalena, Olesiak-Banska, Joanna, Comby-Zerbino, Clothilde, Bertorelle, Franck, Dagany, Xavier, Bansal, Ashu K, Sajjad, T, Samuel, Ifor DW, Sanader, Zeljka and Rozycka, Miroslawa (2018). pH-Induced transformation of ligated Au 25 to brighter Au 23 nanoclusters. Nanoscale. 10 (24), pp. 11335-11341.
Triptycene as a Supramolecular Additive in PTB7: PCBM blends and its Influence on Photovoltaic Properties
Krishnan Jagadamma, Lethy, McCarron, Liam J, Wiles, Alan A, Savikhin, Victoria, Sajjad, T., Yazdani, Mahdieh, Rotello, Vincent M, Toney, Michael F, Cooke, Graeme and Samuel, Ifor DW (2018). Triptycene as a Supramolecular Additive in PTB7: PCBM blends and its Influence on Photovoltaic Properties. ACS applied materials & interfaces. 10 (29), pp. 24665-24678.
Tuning the Exciton Diffusion Coefficient of Polyfluorene Based Semiconducting Polymers
Sajjad, T., Ward, Alexander J, Ruseckas, Arvydas, Bansal, Ashu K, Allard, Sybille, Scherf, Ullrich and Samuel, Ifor DW (2018). Tuning the Exciton Diffusion Coefficient of Polyfluorene Based Semiconducting Polymers. physica status solidi (RRL)–Rapid Research Letters. 13 (3), pp. 1800500-1800500.
A saturated red color converter for visible light communication using a blend of star-shaped organic semiconductors
Sajjad, T, Manousiadis, PP, Orofino, Clara, Kanibolotsky, AL, Findlay, Neil J, Rajbhandari, Sujan, Vithanage, DA, Chun, Hyunchae, Faulkner, GE and O’Brien, DC (2017). A saturated red color converter for visible light communication using a blend of star-shaped organic semiconductors. Applied Physics Letters. 110 (1), pp. 013302-013302.
Correlating photovoltaic properties of PTB7-Th:PC71BM blend to photophysics and microstructure as a function of thermal annealing
Jagadamma, Lethy Krishnan, Sajjad, Muhammad T, Savikhin, Victoria, Toney, Michael F, Samuel, Ifor DW and Sajjad, T (2017). Correlating photovoltaic properties of PTB7-Th:PC71BM blend to photophysics and microstructure as a function of thermal annealing. Journal of Materials Chemistry A. 5 (28), pp. 14646-14657.
Exciton diffusion length and charge extraction yield in organic bilayer solar cells
Siegmund, B., Sajjad, T, Widmer, J., Ray, D., Koerner, C., Riede, M., Leo, K., Samuel, I.D.W. and Vandewal, K. (2017). Exciton diffusion length and charge extraction yield in organic bilayer solar cells. Advanced Materials. 29 (12), pp. 1604424-1604424.
Narrow-band anisotropic electronic structure of ReS2
Biswas, D, Ganose, Alex M, Yano, R, Riley, JM, Bawden, L, Clark, OJ, Feng, J, Collins-Mcintyre, L, Sajjad, T and Meevasana, W (2017). Narrow-band anisotropic electronic structure of ReS2. Physical Review B. 96 (8).
Novel 4, 8-benzobisthiazole copolymers and their field-effect transistor and photovoltaic applications
Conboy, G., Taylor, R.G.D., Findlay, N.J., Kanibolotsky, A.L., Inigo, A.R., Ghosh, S.S., Ebenhoch, B., Jagadamma, L.K., Thalluri, G.K.V.V. and Sajjad, T. (2017). Novel 4, 8-benzobisthiazole copolymers and their field-effect transistor and photovoltaic applications. Journal of Materials Chemistry C. 5 (45), pp. 11927-11936.
Polymer colour converter with very high modulation bandwidth for visible light communications
Vithanage, DA, Kanibolotsky, AL, Rajbhandari, S, Manousiadis, PP, Sajjad, T., Chun, H, Faulkner, GE, O'Brien, DC, Skabara, PJ, Samuel, IDW and Turnbull, GA (2017). Polymer colour converter with very high modulation bandwidth for visible light communications. Journal of Materials Chemistry C. 5 (35), pp. 8916-8920.
Size dependence of efficiency of PbS quantum dots in NiO-based dye sensitised solar cells and mechanistic charge transfer investigation
Raissi, Mahfoudh, Sajjad, T., Pellegrin, Yann, Roland, Thomas Jean, Jobic, Stéphane, Boujtita, Mohammed, Ruseckas, Arvydas, Samuel, Ifor DW and Odobel, Fabrice (2017). Size dependence of efficiency of PbS quantum dots in NiO-based dye sensitised solar cells and mechanistic charge transfer investigation. Nanoscale. 9 (40), pp. 15566-15575.
Tuning crystalline ordering by annealing and additives to study its effect on exciton diffusion in a polyalkylthiophene copolymer
Chowdhury, Mithun, Sajjad, T., Savikhin, Victoria, Hergué, Noémie, Sutija, Karina B, Oosterhout, Stefan D, Toney, Michael F, Dubois, Philippe, Ruseckas, Arvydas and Samuel, Ifor DW (2017). Tuning crystalline ordering by annealing and additives to study its effect on exciton diffusion in a polyalkylthiophene copolymer. Physical Chemistry Chemical Physics. 19 (19), pp. 12441-12451.
BODIPY star-shaped molecules as solid state colour converters for visible light communications
Vithanage, DA, Manousiadis, PP, Sajjad, T, Rajbhandari, Sujan, Chun, Hyunchae, Orofino, Clara, Cortizo-Lacalle, Diego, Kanibolotsky, AL, Faulkner, Grahame and Findlay, NJ (2016). BODIPY star-shaped molecules as solid state colour converters for visible light communications. Applied Physics Letters. 109 (1), pp. 013302-013302.
Controlling the emission efficiency of blue-green iridium (iii) phosphorescent emitters and applications in solution-processed organic light-emitting diodes
Sajjad, T, Sharma, Nidhi, Pal, Amlan K, Hasan, Kamrul, Xie, Guohua, Kölln, Lisa S, Hanan, Garry S, Samuel, Ifor DW and Zysman-Colman, Eli (2016). Controlling the emission efficiency of blue-green iridium (iii) phosphorescent emitters and applications in solution-processed organic light-emitting diodes. Journal of Materials Chemistry C. 4 (38), pp. 8939-8946.
Efficient eco-friendly inverted quantum dot sensitized solar cells
Park, J., Sajjad, T, Jouneau, P-H., Ruseckas, A., Faure-Vincent, J., Samuel, I.D.W., Reiss, P. and Aldakov, D. (2016). Efficient eco-friendly inverted quantum dot sensitized solar cells. Journal of Materials Chemistry A. 4 (3), pp. 827-837.
Controlling exciton diffusion and fullerene distribution in photovoltaic blends by side chain modification
Sajjad, T, Ward, Alexander J, Kästner, Christian, Ruseckas, Arvydas, Hoppe, Harald and Samuel, Ifor DW (2015). Controlling exciton diffusion and fullerene distribution in photovoltaic blends by side chain modification. The journal of physical chemistry letters. 6 (15), pp. 3054-3060.
Fluorescent Red-Emitting BODIPY Oligofluorene Star-Shaped Molecules as a Color Converter Material for Visible Light Communications
Sajjad, T, Manousiadis, Pavlos P, Orofino, Clara, Cortizo-Lacalle, Diego, Kanibolotsky, Alexander L, Rajbhandari, Sujan, Amarasinghe, Dimali, Chun, Hyunchae, Faulkner, Grahame and O’Brien, Dominic C (2015). Fluorescent Red-Emitting BODIPY Oligofluorene Star-Shaped Molecules as a Color Converter Material for Visible Light Communications. Advanced optical materials. 3 (4), pp. 536-540.
Mercaptophosphonic acids as efficient linkers in quantum dot sensitized solar cells
Aldakov, D, Sajjad, T, Ivanova, V, Bansal, AK, Park, J, Reiss, P and Samuel, IDW (2015). Mercaptophosphonic acids as efficient linkers in quantum dot sensitized solar cells. Journal of Materials Chemistry A. 3 (37), pp. 19050-19060.
Novel fast color-converter for visible light communication using a blend of conjugated polymers
Sajjad, T, Manousiadis, Pavlos P, Chun, Hyunchae, Vithanage, Dimali A, Rajbhandari, Sujan, Kanibolotsky, Alexander L, Faulkner, Grahame, O’Brien, Dominic, Skabara, Peter J and Samuel, Ifor DW (2015). Novel fast color-converter for visible light communication using a blend of conjugated polymers. Acs Photonics. 2 (2), pp. 194-199.
Photophysical and structural characterisation of in situ formed quantum dots
Bansal, AK, Antolini, F, Sajjad, T, Stroea, L, Mazzaro, R, Ramkumar, SG, Kass, K-J, Allard, S, Scherf, U and Samuel, IDW (2014). Photophysical and structural characterisation of in situ formed quantum dots. Physical Chemistry Chemical Physics. 16 (20), pp. 9556-9564.
Synthesis and properties of novel star-shaped oligofluorene conjugated systems with BODIPY cores
Orofino-Pena, Clara, Cortizo-Lacalle, Diego, Cameron, Joseph, Sajjad, T., Manousiadis, Pavlos P, Findlay, Neil J, Kanibolotsky, Alexander L, Amarasinghe, Dimali, Skabara, Peter J and Tuttle, Tell (2014). Synthesis and properties of novel star-shaped oligofluorene conjugated systems with BODIPY cores. Beilstein journal of organic chemistry. 10, pp. 2704-2714.
Measurement of a reaction-diffusion crossover in exciton-exciton recombination inside carbon nanotubes using femtosecond optical absorption
Allam, J, Sajjad, T, Sutton, R, Litvinenko, K, Wang, Zilong, Siddique, S, Yang, Q-H, Loh, Wei H and Brown, T (2013). Measurement of a reaction-diffusion crossover in exciton-exciton recombination inside carbon nanotubes using femtosecond optical absorption. Physical review letters. 111 (19), pp. 197401-197401.