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Improving Quantitative EDS Chemical Analysis of Alloy Nanoparticles by PCA Denoising: Part II. Uncertainty Intervals

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Author(s):
Moreira, Murilo ; Hillenkamp, Matthias ; Divitini, Giorgio ; Tizei, Luiz H. G. ; Ducati, Caterina ; Cotta, Monica A. ; Rodrigues, Varlei ; Ugarte, Daniel
Total Authors: 8
Document type: Journal article
Source: Microscopy and Microanalysis; v. 28, n. 3, p. 9-pg., 2022-04-18.
Abstract

Analytical studies of nanoparticles (NPs) are frequently based on huge datasets derived from hyperspectral images acquired using scanning transmission electron microscopy. These large datasets require machine learning computational tools to reduce dimensionality and extract relevant information. Principal component analysis (PCA) is a commonly used procedure to reconstruct information and generate a denoised dataset; however, several open questions remain regarding the accuracy and precision of reconstructions. Here, we use experiments and simulations to test the effect of PCA processing on data obtained from AuAg alloy NPs a few nanometers wide with different compositions. This study aims to address the reliability of chemical quantification after PCA processing. Our results show that the PCA treatment mitigates the contribution of Poisson noise and leads to better quantification, indicating that denoised results may be reliable from the point of view of both uncertainty and accuracy for properly planned experiments. However, the initial data need to be of sufficient quality: these results can only be obtained if the signal-to-noise ratio of input data exceeds a minimal value to avoid the occurrence of random noise bias in the PCA reconstructions. (AU)

FAPESP's process: 14/01045-0 - Advanced electron microscopy studies of metallic clusters and nanocomposites materials for photovoltaic applications
Grantee:Daniel Mario Ugarte
Support Opportunities: Scholarships abroad - Research
FAPESP's process: 13/10957-0 - Xylella fastidiosa-vector-host plant interaction and approaches for citrus variegated chlorosis and citrus canker control
Grantee:Alessandra Alves de Souza
Support Opportunities: Research Projects - Thematic Grants
FAPESP's process: 16/12807-4 - Polymer layers with embedded metal nanoparticles: building blocks for (bio)sensors
Grantee:Osvaldo Novais de Oliveira Junior
Support Opportunities: Research Grants - Visiting Researcher Grant - International
FAPESP's process: 07/01722-9 - Development of a mass selected metallic nano-aggregate source
Grantee:Varlei Rodrigues
Support Opportunities: Regular Research Grants
FAPESP's process: 13/02300-1 - Semiconductor nanowires: formation mechanisms and biosensing applications
Grantee:Mônica Alonso Cotta
Support Opportunities: Regular Research Grants