Multi-scale model for the structure of hybrid perovskites: analysis of charge migration in disordered MAPbI3 structures

Multi-scale model for the structure of hybrid perovskites: analysis of charge migration in disordered MAPbI3 structures

We have developed a multi-scale model for organic–inorganic hybrid perovskites (HPs) that applies quantum mechanical (QM) calculations of small HP supercell models to large coarse-grained structures. With a mixed quantum–classical hopping model, we have studied the effects of cation disorder on char...

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Bibliographic Details
Main Authors: Jari Järvi, Jingrui Li, Patrick Rinke
Format: Article
Language:English
Published: IOP Publishing 2018-01-01
Series:New Journal of Physics
Subjects:
photovoltaics
solar cells
hybrid perovskites
multi-scale modeling
charge mobility
DFT
Online Access:https://doi.org/10.1088/1367-2630/aae295

Internet

https://doi.org/10.1088/1367-2630/aae295

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