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Details of an open-source planar perovskite solar cell simulator, which includes ion vacancy migration within the perovskite layer coupled to charge carrier transport throughout the perovskite and adjoining transport layers in one dimension, are presented. The model equations are discretised in space ...
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(anatase + rutile + amorphous TiO2) was converted into an amorphous free form by selectively dissolving and recrystallizing the amorphous component. Here we investigated the performance of metal-free organic dye (D149)-based DSCs with three different TiO2films: (1) as-received P25 (TiO2-P25)...
All simulations were set up using Enhanced Monte Carlo (EMC) version 9.4.437,38 and were run with Large-scale Atomic/Molecular Massively Parallel Simulator (LAMMPS) version 2018/03/1639. Monomer sequences for coarse-grained polymers were directly ported into LAMMPS input files using EMC. Free en...