Novel SUstainable double PERovskites: multiscale characterization from the atomic structure to functional properties
ProjectHalide double perovskites (HDP) have emerged in recent years as appealing candidates to replace lead halide perovskites: the optoelectronic properties of the latter have propelled impressive research efforts in the last decade, with prospected uses ranging from photovoltaics to thermoelectric. Concerns due to lead toxicity, and general instability of lead halides to air and moisture, pushed the search for alternative compositions with p-block elements, alkali, and transition metals.
In the SU-PER project, we aim to design and synthesize environmentally friendly, air/moisture stable, and efficient HDP, as functional materials for prospected optoelectronic applications. Ab-initio calculations will be used to screen novel prospected HDP compositions for thermodynamic stability towards competing phases, and for beneficial electronic properties. In parallel, we will investigate the effect of size reduction, shape, and surface coverage on the stability, structure, and optoelectronic properties of HDP nanocrystals.
Within this project, integrated X-ray absorption spectroscopies and X-ray total scattering methods will be developed and applied to HDP for deriving unprecedented atomistic details on these materials, which have a broad spectrum of applications in emerging technologies.
Both bulk and nanocrystalline materials will be the subject of a multiscale characterization cantered around synchrotron radiation techniques and complemented by optical characterization.
Specific goals of SU-PER are: i) developing robust methodologies and protocols based on low-cost and easily scalable solution/solid-state synthetic approaches, for the preparation of lead-free air/moisture and stable 3D and layered HDP, both at the bulk and nanoscale; ii) developing modelling approaches for the atomic and electronic structure based on high-resolution X-ray absorption and X-ray total scattering; iii) applying these innovative and unconventional experimental and modelling tools to investigate an innovative class of sustainable emitting materials, providing information from the atomic to the nanometer length scales; iv) using the information gained, to design novel double perovskites, with the desired functionalities, for every-day life applications.
In these ways, we aim to reach a fundamental understanding of the structure-property relations governing this appealing class of materials and further promote the development of the next generation of greener semiconductors for (opto)electronic applications.
In the SU-PER project, we aim to design and synthesize environmentally friendly, air/moisture stable, and efficient HDP, as functional materials for prospected optoelectronic applications. Ab-initio calculations will be used to screen novel prospected HDP compositions for thermodynamic stability towards competing phases, and for beneficial electronic properties. In parallel, we will investigate the effect of size reduction, shape, and surface coverage on the stability, structure, and optoelectronic properties of HDP nanocrystals.
Within this project, integrated X-ray absorption spectroscopies and X-ray total scattering methods will be developed and applied to HDP for deriving unprecedented atomistic details on these materials, which have a broad spectrum of applications in emerging technologies.
Both bulk and nanocrystalline materials will be the subject of a multiscale characterization cantered around synchrotron radiation techniques and complemented by optical characterization.
Specific goals of SU-PER are: i) developing robust methodologies and protocols based on low-cost and easily scalable solution/solid-state synthetic approaches, for the preparation of lead-free air/moisture and stable 3D and layered HDP, both at the bulk and nanoscale; ii) developing modelling approaches for the atomic and electronic structure based on high-resolution X-ray absorption and X-ray total scattering; iii) applying these innovative and unconventional experimental and modelling tools to investigate an innovative class of sustainable emitting materials, providing information from the atomic to the nanometer length scales; iv) using the information gained, to design novel double perovskites, with the desired functionalities, for every-day life applications.
In these ways, we aim to reach a fundamental understanding of the structure-property relations governing this appealing class of materials and further promote the development of the next generation of greener semiconductors for (opto)electronic applications.