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Paul D. Bristowe

Researcher at University of Cambridge

Publications -  158
Citations -  4737

Paul D. Bristowe is an academic researcher from University of Cambridge. The author has contributed to research in topics: Grain boundary & Band gap. The author has an hindex of 36, co-authored 158 publications receiving 4006 citations. Previous affiliations of Paul D. Bristowe include Massachusetts Institute of Technology & Cornell University.

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The synthesis, structure and electronic properties of a lead-free hybrid inorganic–organic double perovskite (MA)2KBiCl6 (MA = methylammonium)

TL;DR: In this article, a hybrid double perovskite, (MA)2KBiCl6, which shows strong similarities to the lead analogues, was proposed for photovoltaic applications.
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Resolving the Physical Origin of Octahedral Tilting in Halide Perovskites

TL;DR: In this paper, the authors re-examine the origin of octahedral tilts in halide perovskites from systematic first-principles calculations and find that while steric effects dominate the tilt magnitude in inorganic halides, hydrogen bonding between an organic A-cation and the halide frame plays a significant role in hybrids.
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Exploring the properties of lead-free hybrid double perovskites using a combined computational-experimental approach

TL;DR: In this paper, a density functional theory screening of the hybrid double perovskites (MA)2BIBiX6 (BI = K, Cu, Ag, Tl; X = Cl, Br, I) showed that systems with band gaps similar to those of the MAPbX3 lead compounds can be expected.
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Role of hydrogen-bonding and its interplay with octahedral tilting in CH3NH3PbI3

TL;DR: First principles calculations on the hybrid perovskite CH3NH3PbI3 predict strong hydrogen-bonding which influences the structure and dynamics of the methylammonium cation and reveal its interaction with the tilting of the PbI6 octahedra.