Exploring the Relationship of Microstructure and Conductivity in Metal Halide Perovskites via Active Learning-Driven Automated Scanning Probe Microscopy

Electronic transport and hysteresis in metal halide perovskites (MHPs) are key to the applications in photovoltaics, light emitting devices, and light and chemical sensors. These phenomena are strongly affected by the materials microstructure including grain boundaries, ferroic domain walls, and secondary phase inclusions. Here, we demonstrate an active machine learning framework for driving an automated scanning probe microscope (SPM) to discover the microstructures responsible for specific aspects of transport behavior in MHPs. In our setup, the microscope can discover the microstructural elements that maximize the onset of conduction, hysteresis, or any other characteristic that can be derived from a set of current-voltage spectra. This approach opens new opportunities for exploring the origins of materials functionality in complex materials by SPM and can be integrated with other characterization techniques either before (prior knowledge) or after (identification of locations of interest for detail studies) functional probing.

Automated summary

We demonstrate an active machine learning framework for driving an automated scanning probe microscope (SPM) to discover the microstructures responsible for specific aspects of transport behavior in metal halide perovskites (MHPs). This approach allows the microscope to discover the microstructural elements that maximize the onset of conduction, hysteresis, or any other characteristic derived from a set of current-voltage spectra. It provides new opportunities for exploring the origins of materials functionality in complex materials by SPM and can be integrated with other characterization techniques.