Sustainable materials acceleration platform reveals stable and efficient wide-bandgap metal halide perovskite alloys

Resumen

The vast chemical space of emerging semiconductors, like metal halide perovskites, and their varied requirements for semiconductor applications have rendered trial-and-error environmentally unsustainable. In this work, we demonstrate RoboMapper, a materials acceleration platform (MAP), that achieves 10-fold research acceleration by formulating and palletizing semiconductors on a chip, thereby allowing high-throughput (HT) measurements to generate quantitative structure-property relationships (QSPRs) considerably more efficiently and sustainably. We leverage the RoboMapper to construct QSPR maps for the mixed ion FA1−yCsyPb(I1−xBrx)3 halide perovskite in terms of structure, bandgap, and photostability with respect to its composition. We identify wide-bandgap alloys suitable for perovskite-Si hybrid tandem solar cells exhibiting a pure cubic perovskite phase with favorable defect chemistry while achieving superior stability at the target bandgap of ∼1.7 eV. RoboMapper’s palletization strategy reduces environmental impacts of data generation in materials research by more than an order of magnitude, paving the way for sustainable data-driven materials research.

Lucía Serrano-Luján

Contratada Doctor Interina

Lucía Serrano-Luján es Profesora Contratada Doctor interina en el Departamento de Informática y Estadística. Su campo de investigación es multidisciplinar. Es experta en la aplicación de la metodología de Análisis del Ciclo de Vida para evaluar las energías renovables y ha aplicado la IA a sus datos. Su principal objetivo es influir en la producción de materiales relacionados con la energía y encontrar una forma más sostenible de desarrollarlos. Ha aplicado el ACV para reducir el óxido de grafeno y las células solares de perovskita, construir sistemas fotovoltaicos integrados, etc.