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research article

Cryogenic electron tomography to determine thermodynamic quantities for nanoparticle dispersions

Ong, Quy  
•
Mao, Ting  
•
Anaraki, Neda Iranpour
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2022
Materials Horizons

Here we present a method to extract thermodynamic quantities for nanoparticle dispersions in solvents. The method is based on the study of tomograms obtained from cryogenic electron tomography (cryoET). The approach is demonstrated for gold nanoparticles (diameter < 5 nm). Tomograms are reconstructed from tilt-series 2D images. Once the three-dimensional (3D) coordinates for the centres of mass of all of the particles in the sample are determined, we calculate the pair distribution function g(r) and the potential of mean force U(r) without any assumption. Importantly, we show that further quantitative information from 3D tomograms is readily available as the spatial fluctuation in the particles' position can be efficiently determined. This in turn allows for the prompt derivation of the Kirkwood-Buff integrals with all their associated quantities such as the second virial coefficient. Finally, the structure factor and the agglomeration states of the particles are evaluated directly. These thermodynamic quantities provide key insights into the dispersion properties of the particles. The method works well both for dispersed systems containing isolated particles and for systems with varying degrees of agglomerations.

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Type
research article
DOI
10.1039/d1mh01461g
Web of Science ID

WOS:000714670800001

Author(s)
Ong, Quy  
Mao, Ting  
Anaraki, Neda Iranpour
Malinverni, Carla
Xu, Xufeng  
Olgiati, Francesca  
Silva, Paulo Henrique Jacob  
Murello, Anna  
Neels, Antonia
Demurtas, Davide  
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Date Issued

2022

Published in
Materials Horizons
Volume

9

Issue

1

Start page

303

End page

311

Subjects

Chemistry, Multidisciplinary

•

Materials Science, Multidisciplinary

•

Chemistry

•

Materials Science

•

kirkwood-buff integrals

•

2nd virial-coefficient

•

cryoelectron microscopy

•

gold nanoparticles

•

hard

•

tool

•

stability

•

entropy

•

single

•

forces

Editorial or Peer reviewed

REVIEWED

Written at

EPFL

EPFL units
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PTBIOEM  
Available on Infoscience
November 20, 2021
Use this identifier to reference this record
https://infoscience.epfl.ch/handle/20.500.14299/183114
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