Proceedings of 6th International Conference on Hybrid and Organic Photovoltaics (HOPV14)
Publication date: 1st March 2014
Recently all-inorganic and mixed organic-inorganic perovskites emerged as promising candidates for solar cell applications. Graetzel and his group were able to prepare a MAPbI3 (MA = methylammonium) based device reaching a record ~15% efficiency [1].
The role of the perovskite is not yet completely understood. In particular, the dependence of electronic, optical and transport properties of perovskites on the composition and structure of the samples is a matter of great interest. For example, the (non-perovskite) d-phase of CsPbI3 is yellow, but there are also several black perovskite phases that are, in principle, suitable for photovoltaic applications. Also the chemical composition strongly affects the properties of this family of perovskites. For example, the orthorhombic (perovskite) CsPbBr3 is yellow [3]. Also the chemical nature of the cation affects the properties of perovskites [2].
Understanding the relationship between chemical composition, structure and properties of perovskites is a key element for their design, and for development of more efficient preparation strategies. Computer simulations can be helpful in establishing the fundamental physical and chemical phenomena at the origin of the properties of perovskites. So far, only a limited number of computational investigations have been performed on perovskite (e.g. Ref. [4]), but a comprehensive understanding of such complex phenomena requires a more systematic investigation by analyzing the trends in properties across “families” of compounds.
In this work we focus on the CsPbI3-xBrx family. We consider various phases available in the literature, plus other phases that we obtained from analogous perovskites by substituting the cation (e.g. replacing methylammonium with Cs in b-MACsPbI3). We also investigate systems with mixed halides. Halide mixing is a promising strategy to tune the properties of perovskites.
Using state-of-the-art ab initio simulations, we investigate the relative stability of the various compounds/phases to rationalize the complex phase diagram observed in experiments. We also investigate the electronic and optical properties of these compounds, their dependence on composition and structure of the samples. For mixed halides we study the effect of chemical composition on the global properties of samples as well as the length scale and possible anisotropies produced by halogen ion substitution. This might allow predicting the properties of heterogeneous mixed halide samples.
Bibliography
[1] Burschka et al., Nature 499, 316 (2013)
[2] Stoumpos et al, Inorg. Chem. 52, 9019 (2013)
[3] Stoumpos et al., Cryst. Growth Des. 13, 2722 (2013)
[4] Mosconi et al., J. Phys. Chem. C, 117, 13902 (2013)
nanoGe is a prestigious brand of successful science conferences that are developed along the year in different areas of the world since 2009. Our worldwide conferences cover cutting-edge materials topics like perovskite solar cells, photovoltaics, optoelectronics, solar fuel conversion, surface science, catalysis and two-dimensional materials, among many others.
Previously nanoGe Spring Meeting (NSM) and nanoGe Fall Meeting (NFM), MATSUS is a multiple symposia conference focused on a broad set of topics of advanced materials preparation, their fundamental properties, and their applications, in fields such as renewable energy, photovoltaics, lighting, semiconductor quantum dots, 2-D materials synthesis, charge carriers dynamics, microscopy and spectroscopy semiconductors fundamentals, etc.
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.
Asia-Pacific International Conference on Perovskite, Organic Photovoltaics and Optoelectronics
The main topics of the Asia-Pacific International Conference on Perovskite, Organic Photovoltaics and Optoelectronics (IPEROP) are discussed every year in Asia-Pacific for gathering the recent advances in the fields of material preparation, modeling and fabrication of perovskite and hybrid and organic materials. Photovoltaic devices are analyzed from fundamental physics and materials properties to a broad set of applications. The conference also covers the developments of perovskite optoelectronics, including light-emitting diodes, lasers, optical devices, nanophotonics, nonlinear optical properties, colloidal nanostructures, photophysics and light-matter coupling.
The International Conference on Perovskite Thin Film Photovoltaics Perovskite Photonics and Optoelectronics (NIPHO) is the best place to hear the latest developments in perovskite solar cells as well as on recent advances in the fields of perovskite light-emitting diodes, lasers, optical devices, nanophotonics, nonlinear optical properties, colloidal nanostructures, photophysics and light-matter coupling.