Cryogenic electron tomography to determine thermodynamic quantities for nanoparticle dispersions

Autor: Łukasz Richter, Antonia Neels, Neda Iranpour Anaraki, Xufeng Xu, Seishi Shimizu, Quy Khac Ong, Francesca Olgiati, Ting Mao, Francesco Stellacci, Anna Murello, Davide Demurtas, Carla Malinverni, Paulo Jacob Silva
Rok vydání: 2021
Předmět:
Zdroj: Materials Horizons
ISSN: 2051-6355
Popis: 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.
Nanoparticle dispersions were studied by cryogenic electron tomography, which was found to allow extraction of key thermodynamic quantities.
Databáze: OpenAIRE