EMRS 2014 - AA4.7 - Jarvist Moore Frost - Hybrid halide perovskites: modelling crystal dynamics and devices

EMRS 2014 - AA4.7 - Jarvist Moore Frost - Hybrid halide perovskites: modelling crystal dynamics and devices

Slide deck presented at EMRS 2014 on the subject of modelling the molecular ferroelectric response of hybrid halide perovskites (as used recently to great effect in solar cells).

12 minute talk with questions; MD video was presented over slide #5:-
https://www.youtube.com/watch?v=Rr2DDiYUoNA

References / Links:-

Atomistic Origins of High-Performance in Hybrid Halide Perovskite Solar Cells
Jarvist M. Frost, Keith T. Butler, Federico Brivio, Christopher H. Hendon, Mark van Schilfgaarde, and Aron Walsh
Nano Letters 2014 14 (5), 2584-2590
DOI: 10.1021/nl500390f

Ferroelectric contributions to anomalous hysteresis in hybrid
perovskite solar cells
Jarvist M. Frost, Keith T. Butler, and Aron Walsh
Submitted to APLMater
ArXiv Preprint:-
http://arxiv.org/abs/1405.5810

Barnes, Leguy et al. - quasi-inelastic neutron scattering - in production

MD Videos - on YouTube: https://t.co/5z81WfUZhw
https://github.com/WMD-Bath/StarryNight - Starrynight code (classical dipoles MC code)
https://github.com/jarvist/MAPI-MD-analysis - Anaylsis codes for MD (Python)
https://github.com/WMD-Bath/Hybrid-perovskites - Hybrid perovskite DFT structures

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Jarvist Moore Frost

May 27, 2014
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