Resolving Nonequilibrium Shape Variations among Millions of Gold Nanoparticles

Shen, Z.; Paulraj, L. X.; Bean, R.; Bielecki, J.; Bergemann, M.; Daurer, B. J.; Ekeberg, T.; Estillore, A. D.; Fangohr, H.; Giewekemeyer, K.; Karnevskiy, M.; Kirian, R. A.; Kirkwood, H.; Kim, Y.; Koliyadu, J. C. P.; Lange, H.; Letrun, R.; Lübke, J.; Mall, A.; Michelat, T.; Morgan, A. J.; Roth, N.; Samanta, A. K.; Sato, T.; Sikorski, M.; Schulz, F.; Vagovic, P.; Wollweber, T.; Worbs, L.; Maia, F.; Horke, D. A.; Küpper, J; Mancuso, A. P.; Chapman, H; Ayyer, K.; Loh, N. D.

doi:10.1021/acsnano.4c00378

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学術論文

Resolving Nonequilibrium Shape Variations among Millions of Gold Nanoparticles

MPS-Authors

Shen, Z.
Department of Physics, National University of Singapore;
Computational Nanoscale Imaging, Condensed Matter Dynamics Department, Max Planck Institute for the Structure and Dynamics of Matter, Max Planck Society;
Center for Free-Electron Laser Science;

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Paulraj, L. X.
International Max Planck Research School for Ultrafast Imaging & Structural Dynamics (IMPRS-UFAST), Max Planck Institute for the Structure and Dynamics of Matter, Max Planck Society;
external;

Fangohr, H.
European XFEL;
Computational Science, Scientific Service Units, Max Planck Institute for the Structure and Dynamics of Matter, Max Planck Society;
Center for Free-Electron Laser Science;

/persons/resource/persons260450

Mall, A.
International Max Planck Research School for Ultrafast Imaging & Structural Dynamics (IMPRS-UFAST), Max Planck Institute for the Structure and Dynamics of Matter, Max Planck Society;
Computational Nanoscale Imaging, Condensed Matter Dynamics Department, Max Planck Institute for the Structure and Dynamics of Matter, Max Planck Society;
Center for Free-Electron Laser Science;

Wollweber, T.
Computational Nanoscale Imaging, Condensed Matter Dynamics Department, Max Planck Institute for the Structure and Dynamics of Matter, Max Planck Society;
Center for Free-Electron Laser Science;
The Hamburg Center for Ultrafast Imaging, Universität Hamburg;

Ayyer, K.
Computational Nanoscale Imaging, Condensed Matter Dynamics Department, Max Planck Institute for the Structure and Dynamics of Matter, Max Planck Society;
Center for Free-Electron Laser Science;
The Hamburg Center for Ultrafast Imaging, Universität Hamburg;

External Resource

https://arxiv.org/abs/2401.04896
(プレプリント)

https://doi.org/10.1021/acsnano.4c00378
(出版社版)

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フルテキスト (公開)

shen-et-al-2024-resolving-nonequilibrium-shape-variations-among-millions-of-gold-nanoparticles.pdf
(出版社版), 8MB

付随資料 (公開)

nn4c00378_si_001.pdf
(付録資料), 3MB

引用

Shen, Z., Paulraj, L. X., Bean, R., Bielecki, J., Bergemann, M., Daurer, B. J., Ekeberg, T., Estillore, A. D., Fangohr, H., Giewekemeyer, K., Karnevskiy, M., Kirian, R. A., Kirkwood, H., Kim, Y., Koliyadu, J. C. P., Lange, H., Letrun, R., Lübke, J., Mall, A., Michelat, T., Morgan, A. J., Roth, N., Samanta, A. K., Sato, T., Sikorski, M., Schulz, F., Vagovic, P., Wollweber, T., Worbs, L., Maia, F., Horke, D. A., Küpper, J., Mancuso, A. P., Chapman, H., Ayyer, K., & Loh, N. D. (2024). Resolving Nonequilibrium Shape Variations among Millions of Gold Nanoparticles. ACS Nano, 18(24), 15576-15589. doi:10.1021/acsnano.4c00378.

引用: https://hdl.handle.net/21.11116/0000-000F-6F6B-E

要旨

Nanoparticles, exhibiting functionally relevant structural heterogeneity, are at the forefront of cutting-edge research. Now, high-throughput single-particle imaging (SPI) with X-ray free-electron lasers (XFELs) creates opportunities for recovering the shape distributions of millions of particles that exhibit functionally relevant structural heterogeneity. To realize this potential, three challenges have to be overcome: (1) simultaneous parametrization of structural variability in real and reciprocal spaces; (2) efficiently inferring the latent parameters of each SPI measurement; (3) scaling up comparisons between 10⁵ structural models and 10⁶ XFEL-SPI measurements. Here, we describe how we overcame these three challenges to resolve the nonequilibrium shape distributions within millions of gold nanoparticles imaged at the European XFEL. These shape distributions allowed us to quantify the degree of asymmetry in these particles, discover a relatively stable “shape envelope” among nanoparticles, discern finite-size effects related to shape-controlling surfactants, and extrapolate nanoparticles’ shapes to their idealized thermodynamic limit. Ultimately, these demonstrations show that XFEL SPI can help transform nanoparticle shape characterization from anecdotally interesting to statistically meaningful.