journal article·2018-12-24Open access

Unveiling the Chemical Composition of Halide Perovskite Films Using Multivariate Statistical Analyses

Stefania Cacovich, Fabio Matteocci, Mojtaba Abdi-Jalebi, Samuel D. Stranks, Aldo Di Carlo, Caterina Ducati, Giorgio Divitini

ACS Applied Energy Materials· Volume 1· Issue 12

Abstract

The local chemical composition of halide perovskites is a crucial factor in determining their macroscopic properties and their stability. While the combination of scanning transmission electron microscopy (STEM) and energy-dispersive X-ray spectroscopy (EDX) is a powerful and widely used tool for accessing such information, electron-beam-induced damage and complex formulation of the films make this investigation challenging. Here we demonstrate how multivariate analysis, including statistical routines derived from “big data” research, such as principal component analysis (PCA), can be used to dramatically improve the signal recovery from fragile materials. We also show how a similar decomposition algorithm (non-negative matrix factorisation (NMF)) can unravel elemental composition at the nanoscale in perovskite films, highlighting the presence of segregated species and identifying the local stoichiometry at the nanoscale.
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Research context

OpenAlex topics: Perovskite Materials and Applications · Machine Learning in Materials Science · Machine Learning and ELM

SciVX discovery tags are terminology-based. OpenAlex topics are source-provided classifications.

Affiliations

Department of Materials Science and Metallurgy, University of Cambridge, 27 Charles Babbage Road, Cambridge CB3 0FS, United Kingdom

Centre for Hybrid and Organic Solar Energy (CHOSE), University of Rome Tor Vergata, via del Politecnico 1, Rome 00133, Italy

Cavendish Laboratory, University of Cambridge, JJ Thompson Avenue, Cambridge CB3 0HE, United Kingdom

National University of Science and Technology “MISiS”, Leninsky Avenue 4 Moscow 119049, Russia

Funding

Engineering and Physical Sciences Research Council · Royal Society · H2020 Energy · FP7 Research infrastructures · FP7 Ideas: European Research Council · H2020 European Research Council · Cambridge Materials Limited · Nava Technology Limited · Tata Group

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