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Ferroelectric Materials for Solar Energy Conversion: Photoferroics Revisited
Keith T. Butler, Jarvist M. Frost, Aron Walsh
The application of ferroelectric materials (i.e. solids that exhibit spontaneous electric polarisation) in solar cells has a long and controversial history. This includes the first…
Self-regulation mechanism for charged point defects in hybrid halide perovskites
Aron Walsh, David O. Scanlon, Shiyou Chen +2
Hybrid halide perovskites such as methylammonium lead iodide (CH3NH3PbI3) exhibit unusually low free carrier concentrations despite being processed at low-temperatures from solutio…
Stacking-dependent energetics and electronic structure of ultrathin polymorphic VVI topological insulator nanofilms
Can Li, Torben Winzer, Aron Walsh +3
Topological insulators represent a paradigm shift in surface physics. The most extensively studied BiSe-type topological insulators exhibit layered structures, wherein neig…
Molecular ferroelectric contributions to anomalous hysteresis in hybrid perovskite solar cells
Jarvist M. Frost, Keith T. Butler, Aron Walsh
We report a model describing the molecular orientation disorder in CH3NH3PbI3, solving a classical Hamiltonian parametrised with electronic structure calculations, with the nature…
Thermal physics of the lead chalcogenides PbS, PbSe, and PbTe from first principles
Jonathan Michael Skelton, Stephen C. Parker, Atsushi Togo +2
The lead chalcogenides represent an important family of functional materials, in particular due to the benchmark high-temperature thermoelectric performance of PbTe. A number of re…
Ab initio thermodynamic model of CuZnSnS
Adam J. Jackson, Aron Walsh
Thin-film solar cells based on the semiconductor CuZnSnS (CZTS) are a promising candidate for Terawatt-scale renewable energy generation. While CZTS is composed of earth ab…