Proceedings of International Conference on Hybrid and Organic Photovoltaics (HOPV16)
Publication date: 28th March 2016
3D hybrid organic-inorganic perovskites have become extremely popular over the last three years in the field of photovoltaics. In addition to its impressive efficiencies records in the solar-to-electricity conversion, they exhibit a large range of possible structures and over the past thirty years, these materials were more intensively studied in their 2D form, for applications in optoelectronics and microelectronics. Recently, 0D perovskite-based nano-objects, such as colloidal nanoplatelets, and 2D/3D layered crystals have also attracted attention from the scientific community. Importantly, the ability to modify the dimensionality and shape of objects allows one to tune effect of quantum and dielectric confinements. These effects are of prime importance for photovoltaic and optoelectronic applications.
We use density functional calculations to scrutinize the dielectric confinement effects in hybrid organic-inorganic halide perovskites at the nanoscale. Based on our original ab initio approach, we inspect herein confinement effects in nanoplatelets and 2D/3D layered crystals of all-inorganic and hybrid perovskites. In addition to size and dimensionality effects, we survey the influence of the cation (inorganic vs. organic) and of the halide (I, Br, Cl). Moreover, we rationalize the importance of ionic contributions (polar phonons) to the dielectric constants thanks to computation of both static and high frequency dielectric properties. The importance of dielectric confinement effects in colloidal nanostructures and layered crystals of halide perovskites is described for the first time in this contribution. The dielectric profiles at the atomic level are used for a Green function modeling of the self-energy contribution to the single-particle states and of the Bethe Salpeter equation for the exciton.
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International Conference on Hybrid and Organic Photovoltaics
International Conference on Hybrid and Organic Photovoltaics (HOPV) is celebrated yearly in May. The main topics are the development, function and modeling of materials and devices for hybrid and organic solar cells. The field is now dominated by perovskite solar cells but also other hybrid technologies, as organic solar cells, quantum dot solar cells, and dye-sensitized solar cells and their integration into devices for photoelectrochemical solar fuel production.
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